SCHEMBL4450682

SCHEMBL4450682

Cc1cc2c(c3ccc(O)cc13)OCc1cc(O)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.45
ESR1 P03372 10/20 0.45
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
CA12 O43570 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
AKR1B1 P15121 1/20 0.36
UGT1A1 P22309 1/20 0.36
MAOB P27338 1/20 0.36
CASP1 P29466 1/20 0.36
KDR P35968 1/20 0.36
HSD17B3 P37058 1/20 0.36
CASP7 P55210 1/20 0.36
MCL1 Q07820 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL4448363 0.84 ESR1 (0.37) ESR2ESR1ALDH1A1HSD17B10HSD17B1
SCHEMBL4449859 0.82 ESR2 (0.36) ESR2ESR1ALDH1A1MAOBHSD17B1
SCHEMBL4452367 0.82 CYP3A4 (0.40) ESR2ESR1ALDH1A1KDM4EGLA
SCHEMBL4454109 0.82 HSD17B3 (0.40) ESR2ESR1ALDH1A1KDM4EGLA
SCHEMBL4452378 0.80 ESR1 (0.45) ESR2ESR1ALDH1A1KDM4EGLA
SCHEMBL3840410 0.79 ESR1 (0.41) ESR2ESR1PRF1ESRRBESRRA
SCHEMBL4446582 0.79 ESRRB (0.39) ESR2ESR1ALDH1A1HSP90AA1PRF1
SCHEMBL14105587 0.79 ESRRB (0.37) ESR2ESR1ALDH1A1HSD17B1HSP90AA1
SCHEMBL3200412 0.78 ESR1 (0.50) ESR2ESR1ALDH1A1HSD17B1HSP90AA1
SCHEMBL4447162 0.78 ALDH1A1 (0.44) ESR2ESR1ALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US claimed
EP-1453820-B1 SUBSTITUTED 6H-DIBENZO[C,H]CHROMENES AS ESTROGENIC AGENTS WYETH CORP (US) 2005-06-01 EP claimed
US-6723747-B2 ESTROGEN RECEPTOR MODULATORS USEFUL IN TREATING OR INHIBITING CONDITIONS, DISORDERS, OR DISEASE STATES AT LEAST PARTIALLY MEDIATED BY ESTROGEN DEFICIENCY OR EXCESS, OR WHICH MAY BE TREATED OR INHIBITED THROUGH USE OF ESTROGENIC AGENT WYETH 2004-04-20 US claimed
US-20030176491-A1 Substituted 6H-DiBenzo[c,h]chromenes as estrogenic agents WYETH 2003-09-18 US claimed
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US disclosed
EP-1453820-B1 SUBSTITUTED 6H-DIBENZO[C,H]CHROMENES AS ESTROGENIC AGENTS WYETH CORP (US) 2005-06-01 EP disclosed
US-6723747-B2 ESTROGEN RECEPTOR MODULATORS USEFUL IN TREATING OR INHIBITING CONDITIONS, DISORDERS, OR DISEASE STATES AT LEAST PARTIALLY MEDIATED BY ESTROGEN DEFICIENCY OR EXCESS, OR WHICH MAY BE TREATED OR INHIBITED THROUGH USE OF ESTROGENIC AGENT WYETH 2004-04-20 US disclosed
US-20030176491-A1 Substituted 6H-DiBenzo[c,h]chromenes as estrogenic agents WYETH 2003-09-18 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 (2 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-20030176491-A1 Substituted 6H-DiBenzo[c,h]chromenes as estrogenic agents ESR2, ESR1, ESRRA ESR2 1/4885ESR1 2/4885ALDH1A1 796/4885
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION COL2A1, COL1A1, COL14A1 ESR2 5/4885ESR1 4/4885ALDH1A1 1461/4885

“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.