SCHEMBL5752362

SCHEMBL5752362

CCC(O)(c1ccc2cc(OC)ccc2c1)c1cncs1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 1/20 0.53
RORC P51449 2/20 0.42
ALOX5 P09917 1/20 0.41
CYP11B2 P19099 7/20 0.37
CYP11B1 P15538 5/20 0.37
CYP19A1 P11511 4/20 0.36
CYP1A2 P05177 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
SCHEMBL5753124 0.80 CYP3A4 (0.80) CYP17A1CYP3A4CYP2C9CYP2C19RORC
SCHEMBL14833287 0.74 RORC (0.37) CYP17A1CYP3A4CYP2C9CYP2C19RORC
SCHEMBL9598133 0.72 ALOX5 (0.74) ALOX5
SCHEMBL5751050 0.70 CYP17A1 (0.44) CYP17A1CYP3A4CYP11B2CYP11B1CYP1A2
SCHEMBL14757482 0.69 CYP3A4 (1.00) CYP17A1CYP3A4CYP2C9CYP2C19
SCHEMBL13262555 0.67 CYP1A2 (0.48) CYP1A2
SCHEMBL9420901 0.66 CYP1A2 (0.52) CYP17A1CYP11B2CYP11B1CYP1A2
SCHEMBL14762264 0.66 ALDH1A1 (0.48) CYP17A1CYP1A2
SCHEMBL6935441 0.66 LMNA (0.49)
SCHEMBL9838482 0.66 CYP1A2 (0.47) CYP17A1CYP3A4CYP1A2

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 CYP17A1 1/4885CYP3A4 214/4885CYP2C9 81/4885

“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.