SCHEMBL4395752

SCHEMBL4395752

Oc1ccc2oc3c(c2c1)CCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C19 P33261 1/20 1.00
PRKD1 Q15139 3/20 0.56
TP53 P04637 5/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL30392254 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL8870570 0.98 CYP1A2 (0.96) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL3143409 0.85 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C19PRKD1ALDH1A1
SCHEMBL10793789 0.81 ALDH1A1 (0.77) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL30663248 0.81 CYP3A4 (0.68) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL10791718 0.80 CYP1A2 (0.77) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL10401284 0.80 CYP3A4 (0.66) CYP1A2CYP3A4CYP2C19PRKD1TP53
SCHEMBL11334978 0.79 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19TP53L3MBTL1
SCHEMBL4395749 0.78 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19TP53L3MBTL1
SCHEMBL10099058 0.78 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19TP53ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP claimed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO claimed
US-9796676-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2017-10-24 US disclosed
US-20160251312-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-09-01 US disclosed
US-9357781-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-06-07 US disclosed
US-20140329674-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-11-06 US disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed
WO-2007039609-A1 PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY INSTITUT PASTEUR (FR) 2007-04-12 WO disclosed
US-5604280-A PHOTOCHROMIC ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1997-02-18 US disclosed
EP-0676401-A1 Annelated spirofluorene-2H-benzopyrans and their use in ophthalmic optics ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1995-10-11 EP disclosed
EP-0420571-A2 6-and/or 7-substituted -1,2,3,4,4A,9B-hexahydro-8-hydroxydibenzofuran-3-ols as inhibitors of leukotriene biosynthesis MERCK & CO. INC. (US) 1991-04-03 EP 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 (3 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-20160251312-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 CYP1A2 1536/4885CYP3A4 2778/4885CYP2C19 3907/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L CYP1A2 2802/4885CYP3A4 1952/4885CYP2C19 3413/4885
US-20140329674-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 CYP1A2 1536/4885CYP3A4 2778/4885CYP2C19 3907/4885

“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.