SCHEMBL3274451

SCHEMBL3274451

Nc1ccc(C(=O)O)c(O)c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 3/20 0.55
MMP2 P08253 1/20 0.53
ACMSD Q8TDX5 2/20 0.46
LDHA P00338 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GFER P55789 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
PTPN1 P18031 2/20 0.43
IKBKB O14920 1/20 0.43
IDO1 P14902 1/20 0.43
AKR1C2 P52895 4/20 0.42
AKR1C1 Q04828 4/20 0.42
ALDH1A1 P00352 3/20 0.42
AKR1C3 P42330 2/20 0.42
HPGD P15428 2/20 0.42
AKR1C4 P17516 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL30848253 0.83 ALDH1A1 (0.53) HNF4AMMP2ACMSDKMT2AKDM4E
SCHEMBL14689993 0.81 HNF4A (0.55) HNF4AMMP2ACMSDLDHAKMT2A
SCHEMBL27740047 0.81 KMT2A (0.46) HNF4AMMP2ACMSDKMT2AKDM4E
SCHEMBL11026751 0.81 HNF4A (0.58) HNF4AACMSDLDHAKDM4ESELL
SCHEMBL28318563 0.80 HSD17B10 (0.43) MMP2KMT2AKDM4EIKBKBIDO1
SCHEMBL3884497 0.79 KMT2A (0.47) HNF4AMMP2ACMSDKMT2AKDM4E
SCHEMBL8001214 0.79 HNF4A (0.67) HNF4AACMSDLDHASELLSELP
SCHEMBL2946213 0.79 KMT2A (0.47) HNF4AACMSDKMT2AKDM4EGFER
SCHEMBL6537038 0.79 HNF4A (0.71) HNF4AACMSDLDHAKDM4ESELL
SCHEMBL1162152 0.78 MMP2 (0.57) HNF4AMMP2LDHAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4036951-A SUNSCREEN AGENTS SYNERGISTICS, INC. (US) 1977-07-19 US claimed
US-7691896-B2 Analogs of salinosporamide A PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-06 US disclosed
EP-1931679-A4 ANALOGS OF SALINOSPORAMIDE A HARVARD COLLEGE (US) 2009-07-29 EP disclosed
US-20090054665-A1 ANALOGS OF SALINOSPORAMIDE A PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-26 US disclosed
EP-1931679-A1 ANALOGS OF SALINOSPORAMIDE A The President and Fellows of Harvard College (US) 2008-06-18 EP disclosed
WO-2007021897-A1 ANALOGS OF SALINOSPORAMIDE A PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-02-22 WO disclosed
WO-2005085189-A2 ANALOGUES OF CONGO RED AND EVALUATION OF THEIR ANTI-PRION ACTIVITY MEDICAL RESEARCH COUNCIL (GB) 2005-09-15 WO disclosed
US-6326417-B1 CONTAINING SALICYLIC ACID COMPOUND AS MICROBIOCIDES JENERIC/PENTRON INCORPORATED 2001-12-04 US disclosed
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed
US-5646098-A Carbonyl containing compounds and their derivatives as multi-functional fuel and lube additives EXXON CHEMICAL PATENTS INC (US) 1997-07-08 US disclosed
US-4036951-A SUNSCREEN AGENTS SYNERGISTICS, INC. (US) 1977-07-19 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 (1 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-20090054665-A1 ANALOGS OF SALINOSPORAMIDE A PSME1, PSMG3, PSMD5 HNF4A 4240/4885MMP2 3716/4885ACMSD 4364/4885

“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.