SCHEMBL5655096

SCHEMBL5655096

COc1ccc(Br)cc1C(C)(C)CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TSHR P16473 1/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
PPARG P37231 1/20 0.40
GFER P55789 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NR3C1 P04150 3/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL11371205 0.83 PTGDR2 (0.45) SMN1; SMN2PTGDR2TSHRGLALMNA
SCHEMBL4476721 0.81 ACHE (0.48) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL11211445 0.80 SMN1; SMN2 (0.40) SMN1; SMN2PTGDR2TSHRGLALMNA
SCHEMBL29426974 0.80 PTGDR2 (0.56) SMN1; SMN2PTGDR2TSHRGLALMNA
SCHEMBL1542948 0.80 PTGDR2 (0.56) SMN1; SMN2PTGDR2TSHRGLALMNA
SCHEMBL3882399 0.79 NR3C2 (0.53) NR3C1NR3C2
SCHEMBL13632764 0.78 PTGDR2 (0.55) SMN1; SMN2PTGDR2TSHRGLALMNA
SCHEMBL5915652 0.77 GAA (0.44) SMN1; SMN2PTGDR2TSHRGLALMNA
SCHEMBL4820133 0.77 PTGDR2 (0.45) SMN1; SMN2PTGDR2TSHRGLALMNA
SCHEMBL9131749 0.76 CNR2 (0.47) SMN1; SMN2PTGDR2TSHRGLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
US-7196108-B2 Bicyclic heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2007-03-27 US disclosed
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases PFAHL MAGNUS 2006-07-20 US disclosed
US-7071218-B2 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases INCYTE SAN DIEGO INCORPORATED (US) 2006-07-04 US disclosed
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia ORTHO MCNEIL PHARMACEUTICAL INC. 2003-05-01 US disclosed
WO-2003016267-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INCORPORATED (US) 2003-02-27 WO disclosed
US-4977276-A ANTITUMOR AGENTS, SKIN DISORDERS THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIV. (US) 1990-12-11 US disclosed
US-4833254-A CHROMANYL, THIOCHROMANYL DERIVATIVES THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1989-05-23 US disclosed
US-4826984-A Heteroarotinoid compounds as anticancer agents THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGE ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1989-05-02 US disclosed
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
US-4222767-A Certain herbicidal sulfonates and sulfamates FISONS LIMITED (GB) 1980-09-16 US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP disclosed
US-4162154-A BENZOFURAN DERIVATIVES FISONS LIMITED (GB) 1979-07-24 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 (4 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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 SMN1; SMN2 3293/4885PTGDR2 835/4885TSHR 3393/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP SMN1; SMN2 4059/4885PTGDR2 1399/4885TSHR 1434/4885
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia OAT, CPT1A, CYP27A1 SMN1; SMN2 3060/4885PTGDR2 1426/4885TSHR 974/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC SMN1; SMN2 2386/4885PTGDR2 968/4885TSHR 3163/4885

“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.