SCHEMBL10294030

SCHEMBL10294030

CC(C)(C)Oc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.43
ACHE P22303 1/20 0.43
KIF11 P52732 1/20 0.41
MAOB P27338 1/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
RELA Q04206 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL16144539 0.85 MAOB (0.42) NFE2L2ACHEMAOBSLC6A4SLC6A2
SCHEMBL260934 0.84 KIF11 (0.47) ACHEKIF11MAOBHPGDPPARG
SCHEMBL254534 0.80 GPR3 (0.50) NFE2L2KIF11
SCHEMBL29435934 0.80 GPR3 (0.50) NFE2L2KIF11
SCHEMBL17501722 0.79 MAOB (0.38) NFE2L2ACHEMAOBSLC6A4SLC6A2
SCHEMBL9163039 0.79 NFE2L2 (0.41) NFE2L2ACHEMAOBESR1ESR2
SCHEMBL7940650 0.78 NFE2L2 (0.39) NFE2L2ACHEMAOBSLC6A4SLC6A2
SCHEMBL246293 0.78 MAOB (0.40) NFE2L2ACHEMAOBSLC6A4SLC6A2
SCHEMBL6764359 0.78 KCNH2 (0.44) KIF11NPC1RAB9A
SCHEMBL27695264 0.78 KIF11 (0.41) ACHEKIF11HPGDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194917-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-06-23 US disclosed
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-02-17 US disclosed
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2022-02-15 US disclosed
US-20210371420-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2021-12-02 US disclosed
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 US disclosed
US-11040973-B2 Inhibitors of kinase networks and uses thereof PURDUE RESEARCH FOUNDATION 2021-06-22 US disclosed
US-10981887-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2021-04-20 US disclosed
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-10793514-B2 Glutamine transport inhibitors and methods for treating cancer VANDERBILT UNIVERSITY (US) 2020-10-06 US disclosed
US-20200308173-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2020-10-01 US disclosed
US-7910616-B2 Proteasome inhibitors NEREUS PHARMACEUTICALS, INC. (US) 2011-03-22 US disclosed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20090298906-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 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 (15 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-10981887-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 NFE2L2 288/4885ACHE 4195/4885KIF11 3622/4885
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 NFE2L2 2327/4885ACHE 4774/4885KIF11 3901/4885
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB NFE2L2 734/4885ACHE 347/4885KIF11 4000/4885
US-20220194917-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR COMPOUNDS ESR1, ESR2, GPER1 NFE2L2 83/4885ACHE 4788/4885KIF11 4172/4885
US-20200308173-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF KDM1B, JMJD6, KDM1A NFE2L2 2183/4885ACHE 2054/4885KIF11 2865/4885
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB NFE2L2 734/4885ACHE 347/4885KIF11 4000/4885
US-11040973-B2 Inhibitors of kinase networks and uses thereof KDM1B, JMJD6, KDM1A NFE2L2 2183/4885ACHE 2054/4885KIF11 2865/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 NFE2L2 1540/4885ACHE 4025/4885KIF11 881/4885
US-20210371420-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF KDM1B, JMJD6, KDM1A NFE2L2 2183/4885ACHE 2054/4885KIF11 2865/4885
US-10793514-B2 Glutamine transport inhibitors and methods for treating cancer SLC1A5, SLC7A11, SLC3A2 NFE2L2 202/4885ACHE 4822/4885KIF11 2270/4885
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 NFE2L2 4475/4885ACHE 2607/4885KIF11 2963/4885
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 NFE2L2 1168/4885ACHE 2625/4885KIF11 1867/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 NFE2L2 3091/4885ACHE 2/4885KIF11 4025/4885
US-20090298906-A1 PROTEASOME INHIBITORS PSMB1, PSME1, PSME3 NFE2L2 365/4885ACHE 4104/4885KIF11 3427/4885
US-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 NFE2L2 1310/4885ACHE 2369/4885KIF11 3660/4885

“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.