SCHEMBL5750103

SCHEMBL5750103

CCc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
ACSS2 Q9NR19 2/20 0.38
CYP3A4 P08684 8/20 0.37
SIRT2 Q8IXJ6 5/20 0.36
CYP17A1 P05093 6/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL5751957 0.92 ALOX5 (0.39) ALOX5ACSS2CYP3A4SIRT2CYP17A1
SCHEMBL5753468 0.92 ALOX5 (0.36) ALOX5ACSS2CYP3A4SIRT2CYP17A1
SCHEMBL5754415 0.92 ALOX5 (0.41) ALOX5ACSS2CYP3A4SIRT2CYP17A1
SCHEMBL5750610 0.88 ALOX5 (0.38) ALOX5CYP3A4SIRT2CYP17A1CYP2C9
SCHEMBL5679939 0.87 CYP17A1 (0.44) ALOX5ACSS2CYP3A4SIRT2CYP17A1
SCHEMBL6168184 0.86 ALOX5 (0.39) ALOX5ACSS2CYP3A4SIRT2CYP17A1
SCHEMBL1414974 0.86 CYP3A4 (0.39) ALOX5CYP3A4SIRT2CYP17A1CYP2C9
SCHEMBL5753019 0.86 CYP3A4 (0.39) ALOX5ACSS2CYP3A4SIRT2CYP17A1
SCHEMBL7820282 0.85 ALOX5 (0.35) ALOX5CYP3A4SIRT2CYP17A1CYP2C9
SCHEMBL5753021 0.85 CYP3A4 (0.38) ALOX5CYP3A4SIRT2CYP17A1CYP2C9

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 ALOX5 205/4885ACSS2 507/4885CYP3A4 214/4885

“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.