Naphthalene

Naphthalene

SCHEMBL1348831

O=C(O)Cl.c1ccc2ccccc2c1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.53
ALOX12 P18054 1/20 0.53
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
ALDH1A1 P00352 7/20 0.45
TSHR P16473 2/20 0.45
DAO P14920 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP1A2 P05177 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44

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
Naphthalene SCHEMBL28261717 0.93 CYP2A6 (0.53) CYP2A6ALOX12CES2CES1ALDH1A1
Naphthalene SCHEMBL17433517 0.90 CYP2A6 (0.57) CYP2A6ALOX12CES2CES1ALDH1A1
Naphthalene SCHEMBL1478520 0.86 CYP2A6 (0.61) CYP2A6ALOX12CES2CES1ALDH1A1
Naphthalene SCHEMBL3278833 0.86 CYP2A6 (0.61) CYP2A6ALOX12CES2CES1ALDH1A1
Naphthalene SCHEMBL7201843 0.86 CYP2A6 (0.61) CYP2A6ALOX12CES2CES1ALDH1A1
Naphthalene SCHEMBL373901 0.86 CYP2A6 (0.61) CYP2A6ALOX12CES2CES1ALDH1A1
Naphthalene SCHEMBL10590639 0.86 CYP2A6 (0.61) CYP2A6ALOX12CES2CES1ALDH1A1
Naphthalene SCHEMBL29033944 0.83 CES1 (0.50) CYP2A6ALOX12CES2CES1ALDH1A1
Naphthalene SCHEMBL9405134 0.83 ALOX12 (0.42) CYP2A6ALOX12CES2CES1ALDH1A1
Naphthalene SCHEMBL27604963 0.83 CYP2A6 (0.57) CYP2A6ALOX12CES2CES1ALDH1A1

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-9458251-B2 Cellulose resin and process for producing the same NEC CORPORATION (JP) 2016-10-04 US disclosed
US-9181351-B2 Cellulose resin and process for producing the same NEC CORPORATION (JP) 2015-11-10 US disclosed
US-20140024824-A1 CELLULOSE RESIN AND PROCESS FOR PRODUCING THE SAME NEC CORPORATION (JP) 2014-01-23 US disclosed
US-20140018530-A1 CELLULOSE RESIN AND PROCESS FOR PRODUCING THE SAME NEC CORPORATION (JP) 2014-01-16 US disclosed
CN-103073457-A Synthetic method for carbaryl-(methyl-D3) SHANGHAI RES INST CHEMICAL IND 2013-05-01 CN disclosed
US-8063021-B2 Ketolide anti-infective compounds KOSAN BIOSCIENCES INCORPORATED (US) 2011-11-22 US disclosed
US-20050272672-A1 Ketolide anti-infective compounds KOSAN BIOSCIENCES, INC. (US) 2005-12-08 US disclosed
EP-0025166-A1 Process for preparing vat dyestuffs of the anthraquinone series, their use in dyeing and printing preparations and in dyeing and printing CIBA-GEIGY AG (CH) 1981-03-18 EP disclosed
EP-0019285-A1 Process for preparing asymmetrical vat dyestuffs of the anthraquinone series and their use in dyeing and printing CIBA-GEIGY AG (CH) 1980-11-26 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 (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-20050272672-A1 Ketolide anti-infective compounds HK1, AKR1D1, KHK CYP2A6 1010/4885ALOX12 3380/4885CES2 1430/4885

“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.