SCHEMBL4456029

SCHEMBL4456029

Oc1ccc2c(c1)COc1c-2cc(-c2ccsc2)c2cc(O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.36
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
PRF1 P14222 1/20 0.34
GPR84 Q9NQS5 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
TMIGD3 P0DMS9 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
GPR35 Q9HC97 1/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
ALDH2 P05091 1/20 0.31
AKR1B1 P15121 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HSD17B3 P37058 1/20 0.31
SORD Q00796 1/20 0.31
IMPDH2 P12268 1/20 0.30

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
SCHEMBL3195446 0.82 GPR84 (0.38) PELI1CHEK1WEE1PRF1GPR84
SCHEMBL4448131 0.78 PRF1 (0.37) CHEK1WEE1PRF1ESR1ESR2
SCHEMBL4448363 0.76 ESR1 (0.37) PRF1ESR1ESR2
SCHEMBL4450682 0.75 ESR2 (0.45) PRF1ESR1ESR2CA12CA9
SCHEMBL4449859 0.75 ESR2 (0.36) PRF1ESR1ESR2MAOAMAOB
SCHEMBL4452367 0.72 CYP3A4 (0.40) ESR1ESR2MAOB
SCHEMBL4446582 0.72 ESRRB (0.39) PRF1ESR1ESR2
SCHEMBL4454109 0.72 HSD17B3 (0.40) PRF1ESR1ESR2HSD17B3
SCHEMBL14105587 0.72 ESRRB (0.37) PRF1ESR1ESR2
SCHEMBL3840410 0.72 ESR1 (0.41) PRF1ESR1ESR2

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 PELI1 3928/4885CHEK1 2505/4885WEE1 2737/4885
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 PELI1 3602/4885CHEK1 4255/4885WEE1 4488/4885

“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.