SCHEMBL4480747

SCHEMBL4480747

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
TPMT P51580 1/20 0.41
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
LMNA P02545 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GPR35 Q9HC97 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
SCHEMBL31095594 0.80 KDM4E (0.49) HTTTSHRAPOBEC3AAPOBEC3GMAPT
SCHEMBL25514839 0.80 KDM4E (0.39) HTTTSHRHPGDSMN1; SMN2KDM4E
SCHEMBL25218326 0.80 KDM4E (0.49) HTTTSHRAPOBEC3AAPOBEC3GMAPT
SCHEMBL30930876 0.79 HSD17B10 (0.50) HSD17B10HTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL4487009 0.79 GAA (0.45) HTTTPMTMAPTHPGDSMN1; SMN2
SCHEMBL24720833 0.79 HSD17B10 (0.50) HSD17B10HTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL9929102 0.79 HSD17B10 (0.50) HSD17B10HTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL1282544 0.78 CA2 (0.52) HSD17B10HTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL8640946 0.76 TPMT (0.50) HSD17B10HTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL1730460 0.75 HSD17B10 (0.50) HSD17B10HTTTSHRAPOBEC3AAPOBEC3G

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
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
US-20050009784-A1 Phenyl quinolines and their use as estrogenic agents WYETH 2005-01-13 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-20050009784-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 HSD17B10 1124/4885HTT 3857/4885TSHR 290/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 HSD17B10 1124/4885HTT 3857/4885TSHR 290/4885

“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.