SCHEMBL4031100

SCHEMBL4031100

CCC(CC)Cn1nc(-c2ccc(OC)cc2OC)c2cccc(C(F)(F)F)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.43
ESR2 Q92731 1/20 0.43
CRHR1 P34998 11/20 0.40
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP2A7 P20853 1/20 0.36
CYP3A7 P24462 1/20 0.36

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
SCHEMBL4027158 0.90 ESR1 (0.45) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4032697 0.84 ESR1 (0.43) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4032140 0.84 ESR1 (0.48) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL1407260 0.83 NR1H2 (0.40) CRHR1PDE2APDE10ACYP1A1CYP1A2
SCHEMBL3889569 0.83 ESR1 (0.64) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL29817411 0.83 ESR1 (0.64) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4029988 0.81 ESR1 (0.61) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4027706 0.80 ESR1 (0.42) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4026002 0.80 ESR1 (0.67) ESR1ESR2MEN1KMT2A
SCHEMBL5501902 0.77 ESR1 (0.78) ESR1ESR2CRHR1MEN1KMT2A

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 1028/4885ESR2 621/4885CRHR1 2217/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ESR2 605/4885CRHR1 2181/4885

“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.