SCHEMBL5754537

SCHEMBL5754537

COc1ccc2cc(C(O)(c3c[nH]cn3)C(F)(F)F)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.44
AHR P35869 2/20 0.37
HSD11B1 P28845 1/20 0.36
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
NR1H2 P55055 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
RAB9A P51151 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP19A1 P11511 3/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL5753491 0.84 CYP17A1 (0.47) CYP17A1AHRCYP1A2CYP2A6RAB9A
Fumaric Acid SCHEMBL5749709 0.83 CYP17A1 (0.39) CYP17A1CYP1A2RAB9ANPC1
Fumaric Acid SCHEMBL5749701 0.83 CYP17A1 (0.39) CYP17A1CYP1A2RAB9ANPC1
SCHEMBL5750407 0.80 ACSS2 (0.47) CYP17A1AHRCYP1A2CYP2A6RAB9A
SCHEMBL5678311 0.80 CYP17A1 (0.61) CYP17A1CYP3A4
SCHEMBL5751050 0.80 CYP17A1 (0.44) CYP17A1AHRCYP1A2CYP2A6RAB9A
SCHEMBL5754031 0.79 CYP17A1 (0.43) CYP17A1AHRCYP1A2CYP2A6RAB9A
SCHEMBL5751571 0.78 CYP17A1 (0.45) CYP17A1AHRCYP1A2CYP2A6CYP3A4
SCHEMBL5678169 0.78 CYP17A1 (0.42) CYP17A1AHRCYP1A2CYP2A6RAB9A
SCHEMBL5754377 0.78 CYP17A1 (0.41) CYP17A1CYP1A2CYP2A6RAB9ACYP3A4

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-7084149-B2 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
EP-1073640-B1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-04-13 EP disclosed
US-20030236274-A1 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-25 US disclosed
US-6573289-B1 Naphthalene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-03 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-20030236274-A1 Naphthalene derivatives, their production and use CYP17A1, CYP21A2, HSD17B1 CYP17A1 1/4885AHR 89/4885HSD11B1 8/4885

“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.