SCHEMBL2597797

SCHEMBL2597797

CC(C)Oc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 1/20 0.54
PPARG P37231 5/20 0.50
PPARA Q07869 4/20 0.50
MCL1 Q07820 4/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
LTB4R2 Q9NPC1 3/20 0.49
BCL2 P10415 1/20 0.48
MDM2 Q00987 1/20 0.48
POLB P06746 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
SCHEMBL9418424 0.86 ALDH1A1 (0.51) ALDH1A1KMT2APPARGPPARAMCL1
SCHEMBL8984342 0.85 ALDH1A1 (0.67) ALDH1A1KMT2AMCL1BCL2MDM2
SCHEMBL23354195 0.84 MEN1 (0.58) ALDH1A1KMT2APPARGPPARALTB4R2
SCHEMBL29979341 0.84 MEN1 (0.58) ALDH1A1KMT2APPARGPPARALTB4R2
SCHEMBL269580 0.81 SMN1; SMN2 (0.70) ALDH1A1GAACYP1A2CYP2C9CYP2C19
SCHEMBL30292805 0.80 HNF4A (0.63) ALDH1A1KMT2ACYP2C9LTB4R2SMN1; SMN2
SCHEMBL18759613 0.80 HNF4A (0.63) ALDH1A1KMT2ACYP2C9LTB4R2SMN1; SMN2
SCHEMBL11402358 0.80 GSTP1 (0.56) ALDH1A1KMT2AMCL1LTB4R2SMN1; SMN2
SCHEMBL4148464 0.79 PPARG (0.45) PPARGPPARALTB4R2FNTAFNTB
SCHEMBL9299818 0.79 HSD17B10 (0.57) ALDH1A1GAACYP1A2CYP2C9LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 WO disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO 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-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB ALDH1A1 885/4885KMT2A 2718/4885PPARG 570/4885
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 ALDH1A1 1427/4885KMT2A 2457/4885PPARG 899/4885
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN ALDH1A1 2807/4885KMT2A 3968/4885PPARG 551/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 ALDH1A1 3299/4885KMT2A 4384/4885PPARG 493/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 ALDH1A1 3299/4885KMT2A 4384/4885PPARG 493/4885

“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.