SCHEMBL1974835

SCHEMBL1974835

Cc1cc(C)c(-c2cccc(C=O)c2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CDK8 P49336 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
UNG P13051 1/20 0.39
CYP2A6 P11509 2/20 0.39
FFAR1 O14842 1/20 0.36
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
DYRK3 O43781 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL1745297 0.89 BRD4 (0.58) BRD4TRIM24TRIM33CA12CA1
SCHEMBL205804 0.86 BRD4 (0.53) BRD4TRIM24TRIM33CA12CA1
SCHEMBL12577722 0.82 BRD4 (0.49) BRD4TRIM24TRIM33CA12CA1
SCHEMBL2022257 0.82 BRD4 (0.49) BRD4TRIM24TRIM33CA12CA1
SCHEMBL27545222 0.81 TRIM24 (0.51) BRD4TRIM24TRIM33CA12CA1
SCHEMBL12577715 0.81 BRD4 (0.51) BRD4TRIM24TRIM33CA12CA1
SCHEMBL14657048 0.80 CYP2A6 (0.44) BRD4ALDH1A1MAOAMAOBCYP2A6
SCHEMBL16219594 0.80 HTR7 (0.41) BRD4CYP2A6FFAR1SRC
SCHEMBL15163808 0.79 CYP2A6 (0.54) BRD4ALDH1A1CYP2A6
SCHEMBL3824008 0.79 TRIM24 (0.53) BRD4TRIM24TRIM33CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144324-A1 METHODS AND COMPOSITIONS COMPRISING MACROCYCLES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-06-16 US disclosed
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20060258722-A1 Condensed ring compound TAKEDA PHARMACEUTICAL COMPANY., LTD. (JP) 2006-11-16 US disclosed
EP-1630152-A1 CONDENSED RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-03-01 EP 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 (3 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-20110144324-A1 METHODS AND COMPOSITIONS COMPRISING MACROCYCLES PMS2, TERT, C5 BRD4 211/4885TRIM24 2495/4885TRIM33 3650/4885
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives GPR119, GPR55, GLP1R BRD4 1422/4885TRIM24 2107/4885TRIM33 2060/4885
US-20060258722-A1 Condensed ring compound GPR119, GLP1R, GCGR BRD4 277/4885TRIM24 1608/4885TRIM33 1268/4885

“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.