SCHEMBL13778697

SCHEMBL13778697

COc1ccc(Oc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 2/20 0.56
LTA4H P09960 2/20 0.56
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
NPBWR1 P48145 6/20 0.49
MCHR1 Q99705 5/20 0.49
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL84040 0.93 RAB9A (0.62) MEN1KMT2ARAB9ACA1CA2
Ammonia Solution, Strong SCHEMBL28016105 0.90 RAB9A (0.60) MEN1KMT2ARAB9ACA1CA2
SCHEMBL4366979 0.90 ALDH1A1 (0.48) MEN1KMT2ARAB9AALDH1A1TDP1
SCHEMBL15849015 0.90 ALDH1A1 (0.48) MEN1KMT2ARAB9AALDH1A1TDP1
SCHEMBL487342 0.86 RAB9A (0.56) MEN1KMT2ARAB9ACA1CA2
SCHEMBL28330426 0.86 RAB9A (0.56) MEN1KMT2ARAB9ACA1CA2
SCHEMBL27048202 0.85 PKM (0.66) MEN1KMT2ARAB9ACA1CA2
SCHEMBL19203156 0.85 HPGD (0.61) MEN1KMT2ARAB9ACA1CA2
SCHEMBL13995154 0.84 SMN1; SMN2 (0.68) MEN1KMT2ALTA4HALDH1A1SMN1; SMN2
Boric Acid SCHEMBL14874706 0.84 RAB9A (0.59) MEN1KMT2ARAB9ACA1CA2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059107-A1 IKZF2 AND CK1-ALPHA DEGRADING COMPOUNDS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-03-21 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-9394261-B2 Aryl amine substituted pyrimidine and quinazoline and their use as anticancer drugs NATIONAL YANG-MING UNIVERSITY (TW) 2016-07-19 US disclosed
US-20150246891-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS NATIONAL TAIWAN UNIVERSITY (TW) 2015-09-03 US disclosed
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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 (5 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A MEN1 479/4885KMT2A 482/4885RAB9A 2323/4885
US-20150246891-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS EGFR, ERBB4, ERBB2 MEN1 3727/4885KMT2A 2105/4885RAB9A 496/4885
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN SCN1B, SCN3A, SCN1A MEN1 3389/4885KMT2A 2979/4885RAB9A 974/4885
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK MEN1 3562/4885KMT2A 1186/4885RAB9A 2803/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR MEN1 510/4885KMT2A 1311/4885RAB9A 1093/4885

“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.