Naphthalene

Naphthalene

SCHEMBL2263115

c1cc2cc3ccc2cc13.c1ccc2ccccc2c1

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.67
ALOX12 P18054 1/20 0.67
CYP1A2 P05177 5/20 0.61
ALDH1A1 P00352 5/20 0.61
HSD17B10 Q99714 5/20 0.61
CYP3A4 P08684 4/20 0.61
TDP1 Q9NUW8 3/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
HIF1A Q16665 2/20 0.58
ALOX15 P16050 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HBB P68871 1/20 0.58
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
GSTP1 P09211 1/20 0.50
TSHR P16473 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
Anthracene SCHEMBL3187575 0.96 CYP2A6 (0.73) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Anthracene SCHEMBL5713428 0.96 CYP2A6 (0.73) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Naphthalene SCHEMBL29173720 0.92 CYP2A6 (0.67) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Anthracene SCHEMBL17912426 0.92 CYP2A6 (0.67) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Anthracene SCHEMBL2833889 0.91 CYP2A6 (0.64) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Anthracene SCHEMBL5713429 0.91 CYP2A6 (0.64) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Anthracene SCHEMBL29352043 0.91 CYP2A6 (0.64) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Anthracene SCHEMBL7703 0.91 CYP2A6 (0.64) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Benz(B)Anthracene SCHEMBL4591619 0.88 CYP2A6 (0.61) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Anthracene SCHEMBL23302274 0.87 CYP2A6 (0.58) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071769-B2 Aromatic monomer- and conjugated polymer-metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-06 US disclosed
US-20110172426-A1 AROMATIC MONOMER- AND CONJUGATED POLYMER-METAL COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-14 US disclosed
US-20100160631-A1 AROMATIC MONOMER- AND CONJUGATED POLYMER-METAL COMPLEXES SUMITOMO CHEMICHAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
US-7705528-B2 Aromatic monomer-and conjugated polymer-metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-27 US disclosed
US-7651746-B2 Halogenated bisdiarylaminopolycyclic aromatic compounds and polymers thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-7432303-B2 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states Bowen, J. Phillip (US) 2008-10-07 US disclosed
US-7399504-B2 Method of preparing an insoluble polymer film on a substrate from a soluble polymer containing labile solubilizing groups DOW GLOBAL TECHNOLOGIES INC. (US) 2008-07-15 US disclosed
US-20070126345-A1 Halogenated bisdiarylaminopolycylic aromatic compounds and polymers thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 US disclosed
US-20050148599-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2005-07-07 US disclosed
WO-2005049546-A1 HALOGENATED BISDIARYLAMINOPOLYCYLIC AROMATIC COMPOUNDS AND POLYMERS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-02 WO disclosed
US-20050106324-A1 Method of preparing an insoluble polymer film on a substrate from a soluble polymer containing labile solubilizing groups DOW GLOBAL TECHNOLOGIES LLC 2005-05-19 US disclosed
WO-2005036666-A2 METHOD OF PREPARING AN INSOLUBLE POLYMER FILM ON A SUBSTRATE FROM A SOLUBLE POLYMER CONTAINING LABILE SOLUBILIZING GROUPS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-04-21 WO disclosed
WO-2005016945-A1 AROMATIC MONOMER-AND CONJUGATED POLYMER-METAL COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-24 WO disclosed
US-20050031900-A1 Aromatic monomer-and conjugated polymer-metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-10 US disclosed
WO-2005010081-A1 AROMATIC MONOMER-AND CONJUGATED POLYMER-METAL COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-03 WO disclosed
US-20050014023-A1 Aromatic monomer- and conjugated polymer-metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-20 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 (4 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-20100160631-A1 AROMATIC MONOMER- AND CONJUGATED POLYMER-METAL COMPLEXES DDT, TYR, DDC CYP2A6 4047/4885ALOX12 3061/4885CYP1A2 3684/4885
US-20050148599-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states FLT1, VEGFA, FLT4 CYP2A6 1341/4885ALOX12 1581/4885CYP1A2 655/4885
US-20110172426-A1 AROMATIC MONOMER- AND CONJUGATED POLYMER-METAL COMPLEXES DDT, TYR, DDC CYP2A6 4047/4885ALOX12 3061/4885CYP1A2 3684/4885
US-20070126345-A1 Halogenated bisdiarylaminopolycylic aromatic compounds and polymers thereof AHR, AADAC, ARNT CYP2A6 168/4885ALOX12 313/4885CYP1A2 133/4885

“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.