SCHEMBL6282618

SCHEMBL6282618

CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 17/20 1.00
ESR1 P03372 15/20 1.00
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6286186 0.70 ESR1 (1.00) ESR2ESR1HSD17B10
SCHEMBL12009549 0.64 ESR1 (0.52) ESR2ESR1HSD17B10KDM4ETSHR
SCHEMBL8711307 0.64 ESR1 (0.47) ESR2ESR1HSD17B10KDM4ETSHR
SCHEMBL6283932 0.64 ESR1 (1.00) ESR2ESR1HSD17B10KDM4ETSHR
SCHEMBL6282610 0.64 ESR2 (1.00) ESR2ESR1
SCHEMBL6794599 0.63 ESR2 (0.49) ESR2ESR1
SCHEMBL6286195 0.62 ESR1 (1.00) ESR2ESR1HSD17B10KDM4ETSHR
SCHEMBL6794055 0.62 ESR1 (0.44) ESR2ESR1ALDH1A1MAPTRAB9A
SCHEMBL697437 0.61 ALOX5 (0.47) ESR2ESR1KDM4EALDH1A1MAPT
SCHEMBL28426376 0.60 ESR1 (0.42) ESR2ESR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838584-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2005-01-04 US disclosed
US-20040162304-A1 Estrogen receptor modulators MERCK & CO., INC. 2004-08-19 US disclosed
EP-1387821-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-02-11 EP disclosed
WO-2002091993-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-11-21 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-20040162304-A1 Estrogen receptor modulators ESRRA, GPER1, ESRRB ESR2 4/4885ESR1 5/4885HSD17B10 400/4885

“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.