SCHEMBL2937587

SCHEMBL2937587

O=C(Cc1ccc(O)c(O)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
MAPT P10636 3/20 0.63
HIF1A Q16665 2/20 0.63
HSD17B10 Q99714 2/20 0.63
GAA P10253 2/20 0.63
HPGD P15428 2/20 0.63
RGS12 O14924 1/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
APEX1 P27695 1/20 0.63
THPO P40225 1/20 0.63
BLM P54132 1/20 0.63
GNAI1 P63096 1/20 0.63
PMP22 Q01453 1/20 0.63
ERCC1 P07992 2/20 0.58
ERCC4 Q92889 2/20 0.58
IDH1 O75874 1/20 0.53

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
SCHEMBL108103 0.85 KDM4E (0.62) KDM4ETDP1MAPTHIF1AHSD17B10
SCHEMBL22470922 0.84 PLAU (0.45) KDM4ETDP1MAPTHIF1AHSD17B10
SCHEMBL7199268 0.82 MAPT (0.67) KDM4ETDP1MAPTHIF1AGAA
SCHEMBL10351730 0.81 MAPT (0.58) KDM4ETDP1MAPTHIF1AHSD17B10
SCHEMBL11633589 0.80 MAPT (0.60) KDM4ETDP1MAPTHIF1AGAA
SCHEMBL2063536 0.79 RAB9A (0.67) KDM4ETDP1MAPTHPGDLMNA
3,4-Dihydroxyphenylacetic Acid SCHEMBL29382155 0.78 GAA (1.00) KDM4ETDP1MAPTHIF1AHSD17B10
3,4-Dihydroxyphenylacetic Acid SCHEMBL36348 0.78 GAA (1.00) KDM4ETDP1MAPTHIF1AHSD17B10
SCHEMBL16863710 0.78 ALOX5 (0.58) MAPTMEN1KMT2APLAUL3MBTL1
SCHEMBL4833396 0.78 CTBP2 (0.56) KDM4ETDP1MAPTHIF1AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501819-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-09-15 EP disclosed
US-7138426-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-11-21 US disclosed
EP-1501819-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-21 EP disclosed
US-20050234245-A1 Estrogen receptor modulators MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1501819-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
US-6750213-B2 BONE DISORDERS; UROGENITAL SYSTEM DISORDERS; ANTICANCER AGENTS MERCK & CO., INC. 2004-06-15 US disclosed
US-20030225132-A1 Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders DININNO FRANK P (US) 2003-12-04 US disclosed
WO-2003091239-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-11-06 WO disclosed
WO-2003086388-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003087073-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-23 WO disclosed
US-20020165226-A1 Estrogen receptor modulators MERCK & CO., INC. 2002-11-07 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 (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-20020165226-A1 Estrogen receptor modulators ESRRA, GPER1, ESRRB KDM4E 901/4885TDP1 3286/4885MAPT 843/4885
US-20050234245-A1 Estrogen receptor modulators ESRRB, ESR2, GPER1 KDM4E 246/4885TDP1 3450/4885MAPT 1350/4885
US-20030225132-A1 Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders GPER1, ESR2, ESR1 KDM4E 3034/4885TDP1 2016/4885MAPT 688/4885

“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.