SCHEMBL5751808

SCHEMBL5751808

COc1ccc2cc(C(O)(c3c[nH]cn3)C3CCCC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
CYP17A1 P05093 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGDS O60760 6/20 0.36
ABL1 P00519 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
F2R P25116 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
Fumaric Acid SCHEMBL5748422 0.87 HPGDS (0.38) CYP19A1CYP17A1MEN1KMT2AHPGDS
Fumaric Acid SCHEMBL5748408 0.87 HPGDS (0.38) CYP19A1CYP17A1MEN1KMT2AHPGDS
SCHEMBL5753491 0.80 CYP17A1 (0.47) CYP17A1NPC1RAB9ACYP1A2
SCHEMBL5678311 0.76 CYP17A1 (0.61) CYP17A1
SCHEMBL5754537 0.76 CYP17A1 (0.44) CYP19A1CYP17A1NPC1RAB9ACYP1A2
SCHEMBL5751050 0.76 CYP17A1 (0.44) CYP17A1NPC1RAB9ACYP1A2
SCHEMBL5750407 0.76 ACSS2 (0.47) CYP19A1CYP17A1NPC1RAB9ACYP1A2
SCHEMBL5754031 0.75 CYP17A1 (0.43) CYP17A1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL4026450 0.75 CYP17A1 (0.47) CYP17A1HPGDS
SCHEMBL5751571 0.74 CYP17A1 (0.45) CYP19A1CYP17A1CYP1A2

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-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
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 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 (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 CYP19A1 25/4885CYP17A1 1/4885MEN1 1335/4885

“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.