SCHEMBL4196898

SCHEMBL4196898

CCCn1nc(-c2ccc(OC)cc2Cl)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
CRHR1 P34998 6/20 0.44
BUB1 O43683 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM1 P11229 1/20 0.41
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.40
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
PDE3B Q13370 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
SCHEMBL4033293 0.76 ESR1 (0.54) ESR1CRHR1
SCHEMBL1407179 0.69 CRHR1 (0.40) ESR1CRHR1
SCHEMBL4032801 0.69 CRHR1 (0.43) ESR1CRHR1BUB1KDM4EMEN1
SCHEMBL4030093 0.69 CRHR1 (0.44) ESR1CRHR1BUB1
SCHEMBL4027997 0.68 ESR1 (0.73) ESR1KDM4EMEN1ALDH1A1MAPT
SCHEMBL1407288 0.67 ESR1 (0.52) ESR1CRHR1MEN1ALDH1A1HTT
Ammonia Solution, Strong SCHEMBL905842 0.66 ADORA2A (0.59) ESR1
SCHEMBL17322839 0.66 KDM4E (0.69) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL4026883 0.66 ESR1 (0.44) ESR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL12325069 0.66 HSP90AA1 (0.56) CRHR1KDM4EMEN1ALDH1A1MAPT

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 4 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
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ESR1 1028/4885CRHR1 2217/4885BUB1 3167/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885CRHR1 2181/4885BUB1 3482/4885

“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.