SCHEMBL4487009

SCHEMBL4487009

COc1c(Cl)cc(N)cc1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TPMT P51580 1/20 0.41
MAPT P10636 2/20 0.39
NQO2 P16083 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HPGD P15428 1/20 0.38
ABCB11 O95342 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20045618 0.86 TPMT (0.49) GAAALDH1A1KDM4ETPMTMAPT
SCHEMBL8427153 0.81 KDM4E (0.51) GAAALDH1A1KDM4ETPMTMAPT
SCHEMBL25218326 0.80 KDM4E (0.49) GAAALDH1A1KDM4EMAPTHTT
SCHEMBL4119971 0.80 ALDH1A1 (0.49) GAAALDH1A1KDM4ETPMTMAPT
SCHEMBL25514839 0.80 KDM4E (0.39) ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL31095594 0.80 KDM4E (0.49) GAAALDH1A1KDM4EMAPTHTT
SCHEMBL1748528 0.79 ALDH1A1 (0.41) GAAALDH1A1KDM4ETPMTMAPT
SCHEMBL7358999 0.79 KDM4E (0.44) GAAALDH1A1KDM4ETPMTNQO2
SCHEMBL4480747 0.79 HSD17B10 (0.50) GAAALDH1A1KDM4ETPMTMAPT
SCHEMBL2101809 0.78 CYP3A4 (0.50) GAAALDH1A1KDM4ETPMTTAS1R3

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
US-7632845-B2 2-(p-oxyphenyl)-6-oxyquinolines, e.g., 2-(3-Fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol; inflammatory bowel disease; Crohn's disease; anticarcinogenic agents; anticholesterol agents; antilipemic agents; cardiovascular diorders; osteoporosis; A lzheimer's disease; fertility; antiarthritic agents WYETH (US) 2009-12-15 US disclosed
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-09-28 US disclosed
US-7084276-B2 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-08-01 US disclosed
EP-1628961-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS Wyeth (US) 2006-03-01 EP disclosed
US-20050009784-A1 Phenyl quinolines and their use as estrogenic agents WYETH 2005-01-13 US disclosed
WO-2004103973-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS WYETH (US) 2004-12-02 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-20050009784-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 GAA 4471/4885ALDH1A1 904/4885KDM4E 638/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 GAA 4471/4885ALDH1A1 904/4885KDM4E 638/4885

“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.