SCHEMBL4031338

SCHEMBL4031338

Oc1ccc(-c2nn(Cc3ccccc3)c3c(Cl)cccc23)cc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.75
RORC P51449 2/20 0.46
ALDH1A1 P00352 4/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
ENPP1 P22413 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4035132 0.86 ESR1 (0.56) ESR1RORCALDH1A1PDE4APDE4B
SCHEMBL4030038 0.86 ESR1 (1.00) ESR1RORCALDH1A1NPSR1CYP1A2
SCHEMBL4029651 0.83 ESR1 (0.77) ESR1RORCALDH1A1PDE4APDE4B
SCHEMBL4026862 0.83 F2RL3 (0.56) ESR1RORCALDH1A1PDE4APDE4B
SCHEMBL4036253 0.82 ESR1 (0.77) ESR1RORCALDH1A1PDE4APDE4B
SCHEMBL4029900 0.80 ESR1 (0.71) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4025914 0.79 ESR1 (0.51) ESR1RORCALOX5
SCHEMBL4030028 0.79 ESR1 (0.47) ESR1RORCALDH1A1PDE4APDE4B
SCHEMBL4028787 0.79 ESR1 (0.47) ESR1RORCALDH1A1PDE4APDE4B
SCHEMBL4034694 0.79 ESR1 (0.47) ESR1RORCALDH1A1PDE4APDE4B

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 3 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

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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ESR1 1028/4885RORC 142/4885ALDH1A1 2279/4885

“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.