SCHEMBL5190243

SCHEMBL5190243

O=C1CCC2=Cc3ccccc3C2C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
TP53 P04637 1/20 0.33
RECQL P46063 1/20 0.33
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL577658 0.79 KDM1A (0.39) KDM1A
SCHEMBL29608131 0.78 GRIN2D (0.38) KDM1A
SCHEMBL775690 0.75 KDM1A (0.35) KDM1A
SCHEMBL3248949 0.75 KDM1A (0.35) KDM1A
SCHEMBL6561593 0.73 KDM1A (0.34) KDM1A
SCHEMBL21878050 0.72
SCHEMBL5845510 0.72 TLR4 (0.35) KDM1AALDH1A1KMT2A
SCHEMBL23167366 0.71 TERT (0.32) TP53RECQLBRD4ALDH1A1KMT2A
SCHEMBL5844300 0.70 TLR4 (0.42) KDM1AALDH1A1TSHRKMT2A
SCHEMBL5846236 0.69 TLR4 (0.41) KDM1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809594-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-25 EP disclosed
WO-2007081895-A2 PREPARATION OF SUBSTITUTED 2-HYDROXYGIBBA-1(10A), 2, 4, 4B-TETRAEN-6-ONES MERCK & CO., INC. (US) 2007-07-19 WO disclosed
US-7157604-B2 Selective estrogen receptor modulators MERCK & CO., INC. (US) 2007-01-02 US disclosed
US-7087599-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-08-08 US disclosed
WO-2006050402-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-05-11 WO disclosed
EP-1418900-A4 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-01-25 EP disclosed
EP-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP disclosed
EP-1339683-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-07-27 EP disclosed
US-20050137192-A1 Estrogen receptor modulators PARKER DANN R JR (US) 2005-06-23 US disclosed
EP-1418900-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-05-19 EP disclosed
EP-1339683-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-09-03 EP disclosed
WO-2003015761-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2002041835-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-05-30 WO disclosed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 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 (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-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA KDM1A 371/4885TP53 922/4885RECQL 4052/4885

“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.