SCHEMBL4031909

SCHEMBL4031909

CCCn1nc(-c2ccc(O)c(Cl)c2)c2cccc(Cl)c21

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.76
ESR2 Q92731 3/20 0.40
RORC P51449 2/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4025562 0.90 ESR1 (0.71) ESR1ESR2RORCHSD17B1HSD17B2
SCHEMBL4031726 0.86 ESR1 (1.00) ESR1RORCALDH1A1NPSR1L3MBTL1
SCHEMBL4036253 0.86 ESR1 (0.77) ESR1RORCALDH1A1NPSR1L3MBTL1
SCHEMBL4030848 0.83 ESR1 (0.65) ESR1ADORA2AADORA1ALDH1A1NPSR1
SCHEMBL4032735 0.79 ESR1 (0.69) ESR1RORCALDH1A1NPSR1L3MBTL1
SCHEMBL4027997 0.79 ESR1 (0.73) ESR1RORCALDH1A1NPSR1L3MBTL1
SCHEMBL4030292 0.79 ESR1 (1.00) ESR1RORCADORA2AALDH1A1NPSR1
SCHEMBL4026618 0.79 ESR1 (0.73) ESR1RORCALDH1A1NPSR1L3MBTL1
SCHEMBL4031235 0.78 ESR1 (0.61) ESR1ALDH1A1NPSR1L3MBTL1
SCHEMBL5397380 0.78 ESR1 (0.56) ESR1ESR2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US disclosed
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 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 (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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ESR1 1028/4885ESR2 621/4885RORC 142/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ESR2 605/4885RORC 87/4885

“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.