SCHEMBL5678124

SCHEMBL5678124

COc1cc2ccc(C(=O)c3c[nH]cn3)cc2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
APAF1 O14727 1/20 0.43
NSD2 O96028 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TUBB4A P04350 2/20 0.38

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
SCHEMBL5678286 0.88 KDM4E (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1HTT
SCHEMBL5750575 0.83 L3MBTL1 (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5752322 0.83 L3MBTL1 (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5750943 0.81 MEN1 (0.51) CYP3A4TSHRALDH1A1KDM4ECNR2
SCHEMBL5753752 0.80 L3MBTL1 (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL11053630 0.80 HPGD (0.53) ALDH1A1GAAHTTLMNATUBB4A
SCHEMBL11051417 0.78 CNR2 (0.54) LMNACNR2
SCHEMBL1683786 0.77 TUBB1 (0.49) LMNATUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL26634476 0.76 TUBB1 (0.48) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5751675 0.75 TUBB4A (0.34) L3MBTL1APAF1NSD2CASP3SENP8

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 9 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-1227085-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR TAKEDA PHARMACEUTICAL (JP) 2006-03-15 EP disclosed
EP-1073640-B1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-04-13 EP disclosed
US-6800778-B1 OPTICALLY ACTIVE CYCLIC PHOSPHORUS COMPOUND USED AS REAGENT FOR OPTICAL RESOLUTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-05 US 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-1227085-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP 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 CYP1A2 91/4885CYP3A4 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.