SCHEMBL4030731

SCHEMBL4030731

COc1ccc(-c2c3c(C)ccc(Cl)c3nn2C2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRC P12931 2/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
ABL2 P42684 1/20 0.36
GAA P10253 1/20 0.36
KCNJ6 P48051 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
SCHEMBL4194778 0.81 ESR1 (0.46) CNR1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL4034339 0.79 ESR1 (0.46) CNR1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL1407427 0.71 ESR1 (0.46) ALDH1A1TSHRALOX15HSD17B10LMNA
SCHEMBL5216933 0.68 SMN1; SMN2 (0.40) ALDH1A1TSHRALOX15HSD17B10LMNA
SCHEMBL15698759 0.66 PDE1A (0.44) ALDH1A1TSHRALOX15HSD17B10LMNA
SCHEMBL5222471 0.66 PDE4A (0.41) ALDH1A1TSHRALOX15HSD17B10LMNA
SCHEMBL4030727 0.66 SIGMAR1 (0.44) ALDH1A1TSHRHTTNPSR1GAA
SCHEMBL1477216 0.66 HTR2A (0.69) ALDH1A1TSHRALOX15HSD17B10LMNA
SCHEMBL5411401 0.66 ESR1 (0.72) MAPTSMN1; SMN2NPSR1EGFR
SCHEMBL1475863 0.65 HTR2A (0.67) ALDH1A1TSHRALOX15HSD17B10LMNA

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 CNR1 717/4885ALDH1A1 2279/4885TSHR 124/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 CNR1 794/4885ALDH1A1 1965/4885TSHR 256/4885

“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.