SCHEMBL3958458

SCHEMBL3958458

COc1ccc2cc(-c3ccc(OC)c(F)c3)cc(C#N)c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.52
ESR2 Q92731 10/20 0.52
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
XDH P47989 1/20 0.42
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAAA Q02083 1/20 0.39

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
SCHEMBL5980965 0.86 ESR1 (0.71) ESR1ESR2XDH
SCHEMBL27627364 0.85 ESR1 (0.48) ESR1ESR2CYP11B1CYP11B2PDGFRB
SCHEMBL3014632 0.80 PGR (0.52) ESR1ESR2CYP11B1CYP11B2HSD17B1
SCHEMBL4485744 0.80 ESR1 (0.55) ESR1ESR2CYP11B1CYP11B2PDGFRB
SCHEMBL13527431 0.78 ESR1 (0.50) ESR1ESR2XDH
SCHEMBL28469839 0.78 ERN1 (0.60) ESR1ESR2HSD17B1HSD17B2PDGFRB
SCHEMBL13527430 0.77 ESR1 (0.44) ESR1ESR2CYP11B1CYP11B2XDH
SCHEMBL5981371 0.74 ESR1 (0.76) ESR1ESR2PDGFRBPDGFRAXDH
SCHEMBL5980999 0.74 ESR2 (0.76) ESR1ESR2PGRAR
SCHEMBL19722074 0.73 CYP17A1 (0.57) ESR2CYP11B1CYP11B2PDGFRBPDGFRA

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-7557237-B2 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2009-07-07 US disclosed
US-7557237-B2 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2009-07-07 US disclosed
US-7557237-B2 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2009-07-07 US disclosed
EP-1663929-A2 PROCESS FOR THE SYNTHESIS OF 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXYNAPHTHONITRILE Wyeth (US) 2006-06-07 EP disclosed
WO-2005026105-A2 PROCESS FOR THE SYNTHESIS OF 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXYNAPHTHONITRILE WYETH (US) 2005-03-24 WO disclosed
US-20050054870-A1 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2005-03-10 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 (1 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-20050054870-A1 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile HRH4, HRH1, HRH3 ESR1 2818/4885ESR2 1795/4885CYP11B1 169/4885

“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.