SCHEMBL803419

SCHEMBL803419

Cc1cc(CC(C)(C)C)on1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
VHL P40337 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HCAR2 Q8TDS4 1/20 0.36
NR1I2 O75469 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
EPHX2 P34913 1/20 0.35
PYCR1 P32322 1/20 0.35
IGF1R P08069 4/20 0.34
FGFR1 P11362 3/20 0.34
KDR P35968 3/20 0.34
PDE10A Q9Y233 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
INSR P06213 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19791266 0.83 VHL (0.44) MEN1KMT2AVHLALDH1A1HCAR2
SCHEMBL18994354 0.83 MEN1 (0.43) MEN1KMT2AVHLALDH1A1HCAR2
SCHEMBL12384314 0.79 MEN1 (0.43) MEN1KMT2AVHLALDH1A1HCAR2
SCHEMBL21324929 0.78 MAPK14 (0.37) SMN1; SMN2
SCHEMBL12594197 0.78 CHRM1 (0.33) SMN1; SMN2
SCHEMBL19399866 0.77
SCHEMBL2797767 0.77
SCHEMBL15925052 0.77 ESR1 (0.34)
SCHEMBL13028951 0.75 CHRM1 (0.39) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL16275992 0.75 NR1I2 (0.40) MEN1KMT2AVHLALDH1A1HCAR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159466-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. 2023-05-25 US disclosed
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 US disclosed
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 US disclosed
US-11214563-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-01-04 US disclosed
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
US-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-05-06 US disclosed
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 US disclosed
US-20200392113-A1 SUBSTITUTED PYRAZOLO-PYRAZINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-20180111941-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-04-26 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20100323887-A1 MESOIONIC PESTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 US disclosed
US-20100323887-A1 MESOIONIC PESTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 US disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 MEN1 2346/4885KMT2A 32/4885VHL 494/4885
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C MEN1 4833/4885KMT2A 2341/4885VHL 3011/4885
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C MEN1 4833/4885KMT2A 2341/4885VHL 3011/4885
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 MEN1 4221/4885KMT2A 3171/4885VHL 1079/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT MEN1 1036/4885KMT2A 556/4885VHL 528/4885
US-11214563-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C MEN1 4849/4885KMT2A 2767/4885VHL 2575/4885
US-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 MEN1 1411/4885KMT2A 1568/4885VHL 4661/4885
US-20200392113-A1 SUBSTITUTED PYRAZOLO-PYRAZINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C MEN1 4849/4885KMT2A 2767/4885VHL 2575/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS MEN1 188/4885KMT2A 736/4885VHL 37/4885
US-20100323887-A1 MESOIONIC PESTICIDES DDT, CHRM1, CHRM3 MEN1 255/4885KMT2A 3136/4885VHL 4858/4885
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C MEN1 4833/4885KMT2A 2341/4885VHL 3011/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 MEN1 1500/4885KMT2A 2809/4885VHL 547/4885
US-20180111941-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS ENPP2, LPAR1, LPAR2 MEN1 776/4885KMT2A 462/4885VHL 4469/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 MEN1 298/4885KMT2A 1997/4885VHL 174/4885
US-20230159466-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN2 MEN1 4224/4885KMT2A 653/4885VHL 6/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MEN1 2563/4885KMT2A 2222/4885VHL 3688/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.