SCHEMBL4030745

SCHEMBL4030745

CCCn1nc2c(F)ccc(C)c2c1-c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.38
LTA4H P09960 1/20 0.38
HPGD P15428 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAOB P27338 1/20 0.34
TNF P01375 1/20 0.34
MEN1 O00255 1/20 0.34
GRIK2 Q13002 2/20 0.34
GRIK1 P39086 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4200871 0.79 NR1H2 (0.43) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL4033230 0.78 ESR1 (0.42) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL4032475 0.78 HTR2A (0.44) ALDH1A1KDM4ELTA4HHPGDMAPT
SCHEMBL4029516 0.75 TNKS (0.46) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL4034768 0.70 CRHR1 (0.40)
SCHEMBL8025272 0.70 ALDH1A1 (0.43) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL4026883 0.69 ESR1 (0.44) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL4033022 0.68 ACACA (0.45) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL4025766 0.68 MPO (0.47) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL4035086 0.66 CRHR1 (0.39) ALDH1A1KDM4EGAATSHRLMNA

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 ALDH1A1 2279/4885KDM4E 339/4885GAA 4756/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ALDH1A1 1965/4885KDM4E 408/4885GAA 4549/4885

“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.