SCHEMBL4028526

SCHEMBL4028526

COc1ccc(C(=O)c2cccc(C)c2F)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 2/20 0.48
PGR P06401 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
AR P10275 1/20 0.48
CHRM1 P11229 1/20 0.48
ALOX15 P16050 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL4030126 0.89 HPGD (0.50) NPC1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL1407930 0.87 NPC1 (0.57) NPC1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL15125786 0.85 NPC1 (0.62) NPC1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL1408182 0.85 NPC1 (0.55) NPC1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL1407535 0.83 NPC1 (0.52) NPC1KMT2ALMNACYP1A2CYP3A4
SCHEMBL285924 0.82 NPC1 (0.79) NPC1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL31575666 0.82 NPC1 (0.79) NPC1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL4935615 0.81 NPC1 (0.60) NPC1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL3236831 0.81 NPC1 (0.68) NPC1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL1407369 0.80 KMT2A (0.56) NPC1ALDH1A1KMT2ALMNAMEN1

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 NPC1 3850/4885ALDH1A1 2279/4885KMT2A 2656/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 NPC1 3636/4885ALDH1A1 1965/4885KMT2A 2418/4885

“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.