SCHEMBL806471

SCHEMBL806471

Cc1ccc2cc(C#N)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.59
CYP1A2 P05177 2/20 0.59
ALDH1A1 P00352 1/20 0.58
TDP1 Q9NUW8 1/20 0.50
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
AR P10275 2/20 0.47
ITK Q08881 1/20 0.44
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
CYP17A1 P05093 1/20 0.43
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3B P49841 1/20 0.42
CSNK1G2 P78368 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL1104942 0.96 CYP2A6 (0.54) CYP2A6CYP1A2ALDH1A1TDP1CYP11B1
SCHEMBL6924028 0.93 CYP2A6 (0.61) CYP2A6CYP1A2ALDH1A1TDP1CYP11B1
SCHEMBL18852193 0.90 CYP2A6 (0.52) CYP2A6CYP1A2ALDH1A1TDP1CYP11B1
SCHEMBL29489119 0.85 CYP2A6 (0.54) CYP2A6ALDH1A1CYP11B1CYP11B2IMPDH2
SCHEMBL1344485 0.85 CYP2A6 (0.54) CYP2A6ALDH1A1CYP11B1CYP11B2IMPDH2
SCHEMBL13384915 0.84 CYP2A6 (0.56) CYP2A6CYP1A2ALDH1A1TDP1CYP11B1
SCHEMBL13350234 0.84 ALDH1A1 (0.56) CYP2A6ALDH1A1CYP11B1CYP11B2AR
SCHEMBL811007 0.82 CYP11B1 (0.51) CYP2A6ALDH1A1CYP11B1CYP11B2AR
SCHEMBL12957514 0.82 CYP11B1 (0.46) CYP2A6CYP1A2ALDH1A1TDP1CYP11B1
SCHEMBL13074509 0.80 CYP2A6 (0.50) CYP2A6ALDH1A1CYP11B1CYP11B2IMPDH2

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251445-A Cyclic organosiloxane containing imide bond and polymerizable unsaturated bond and curable resin composition containing the same 信越化学工业株式会社 2024-06-25 CN disclosed
CN-116490555-A Copper-clad laminate and printed circuit board 三菱瓦斯化学株式会社 2023-07-25 CN disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-3242875-B1 4,5-DIHYDROIMIDAZOLE DERIVATIVES AND THEIR USE AS HISTONE DEMETHYLASE (KDM2B) INHIBITORS GENENTECH INC (US) 2022-02-23 EP disclosed
WO-2021135725-A1 ORGANIC COMPOUND, ELECTRONIC DEVICE AND ELECTRONIC APPARATUS USING SAME 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
WO-2021135516-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
US-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME LG CHEM, LTD. (KR) 2020-02-13 US disclosed
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 US disclosed
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-05-16 US disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed
EP-0346842-B1 PROCESS FOR SEPARATING 2,6-DIMETHYLNAPHTHALENE Mitsubishi Oil Company, Limited (JP) 1993-03-31 EP disclosed
US-3870745-A Complex of 2,6-dimethylnaphthalene and 2-cyano-6-methylnaphthalene SUN VENTURES INC 1975-03-11 US disclosed
US-3870745-A Complex of 2,6-dimethylnaphthalene and 2-cyano-6-methylnaphthalene SUN VENTURES INC 1975-03-11 US disclosed
US-3855334-A SEPARATION OF 2,6-DIMETHYLNAPHTHALENE BY COMPLEXATION SUN VENTURES INC 1974-12-17 US 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 (5 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-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP2A6 619/4885CYP1A2 462/4885ALDH1A1 289/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CYP2A6 1430/4885CYP1A2 572/4885ALDH1A1 1739/4885
US-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME CRY1, CRY2, CYP1A1 CYP2A6 151/4885CYP1A2 15/4885ALDH1A1 18/4885
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 CYP2A6 1601/4885CYP1A2 1023/4885ALDH1A1 2931/4885
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 CYP2A6 1105/4885CYP1A2 38/4885ALDH1A1 91/4885

“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.