SCHEMBL4454109

SCHEMBL4454109

CCc1cc2c(c3ccc(O)cc13)OCc1cc(O)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.40
ESRRB O95718 2/20 0.39
ESRRA P11474 2/20 0.39
ESR2 Q92731 7/20 0.36
ESR1 P03372 7/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
GLA P06280 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
NR1I2 O75469 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4452378 0.90 ESR1 (0.45) HSD17B3ESRRBESRRAESR2ESR1
SCHEMBL4447162 0.87 ALDH1A1 (0.44) HSD17B3ESRRBESRRAESR2ESR1
SCHEMBL4450682 0.82 ESR2 (0.45) HSD17B3ESRRBESRRAESR2ESR1
SCHEMBL13960113 0.81 ESR1 (0.36) ESR2ESR1MAPTMEN1GLA
SCHEMBL4448363 0.80 ESR1 (0.37) ESRRBESRRAESR2ESR1MAPT
SCHEMBL4449859 0.79 ESR2 (0.36) ESRRBESRRAESR2ESR1MAPT
SCHEMBL4452367 0.78 CYP3A4 (0.40) ESR2ESR1MAPTMEN1GLA
SCHEMBL4446582 0.76 ESRRB (0.39) ESRRBESRRAESR2ESR1MAPT
SCHEMBL3840410 0.76 ESR1 (0.41) ESRRBESRRAESR2ESR1PRF1
SCHEMBL14105587 0.76 ESRRB (0.37) ESRRBESRRAESR2ESR1MAPT

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 HSD17B3 62/4885ESRRB 4/4885ESRRA 3/4885
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 HSD17B3 62/4885ESRRB 10/4885ESRRA 11/4885

“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.