Naphthalene

Naphthalene

SCHEMBL3934202

c1ccc2ccccc2c1.c1ccncc1.c1cscn1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.34
CYP2A6 P11509 2/20 0.33
ALOX12 P18054 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AR P10275 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31

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 SCHEMBL303703 0.91 CYP2A6 (0.40) CYP2A6ALOX12CYP17A1CYP19A1CYP11B1
Pyridine SCHEMBL23294750 0.87 TSHR (0.50) TSHRNAPRTTDP1
Pyridine SCHEMBL28304620 0.87 TSHR (0.50) TSHRNAPRTTDP1
Pyridine SCHEMBL339405 0.87 TSHR (0.50) TSHRNAPRTTDP1
Anthracene SCHEMBL27585398 0.83 ALDH1A1 (0.37) TDP1CYP2A6ALOX12CYP17A1CYP19A1
Pyridine SCHEMBL16470497 0.80 TSHR (0.43) TSHRNAPRTTDP1
Benzene SCHEMBL28323090 0.80 TSHR (0.43) TSHRNAPRTTDP1
Biphenyl SCHEMBL2199525 0.80 NOTUM (0.50) TSHRNOTUMCYP2A6CYP19A1KDM4E
Isoquinoline SCHEMBL29501078 0.80 TNF (0.37) CYP2A6CYP17A1CYP19A1CYP11B1CYP11B2
Isoquinoline SCHEMBL1743732 0.80 TNF (0.37) CYP2A6CYP17A1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609459-B1 Use of polycationic compounds for dyeing keratinous fibers OREAL (FR) 2009-04-08 EP claimed
US-20060162098-A1 Use of polycationic compounds for dyeing keratin fibres L'OREAL S.A. (FR) 2006-07-27 US claimed
US-20060162098-A1 Use of polycationic compounds for dyeing keratin fibres L'OREAL S.A. (FR) 2006-07-27 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 (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-20060162098-A1 Use of polycationic compounds for dyeing keratin fibres KRT18, DSG1, DSP TSHR 4853/4885NAPRT 1748/4885TDP1 3485/4885

“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.