SCHEMBL5499255

SCHEMBL5499255

CCCCc1ccccc1C.CCCCc1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
LIPG Q9Y5X9 1/20 0.48
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM2 P08172 1/20 0.44
KMT2A Q03164 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
TYR P14679 1/20 0.41
DAO P14920 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CTBP2 P56545 1/20 0.40

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
SCHEMBL475603 1.00 TAAR1 (0.58) TAAR1LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL29981544 1.00 TAAR1 (0.58) TAAR1LIPGCYP3A4CYP2D6CYP2C9
Butane SCHEMBL28500537 0.98 TAAR1 (0.56) TAAR1LIPGCYP3A4CYP2D6CYP2C9
Bromide SCHEMBL28213899 0.98 TAAR1 (0.56) TAAR1LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL31498542 0.98 TAAR1 (0.56) TAAR1LIPGCYP3A4CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL10539792 0.98 TAAR1 (0.56) TAAR1LIPGCYP3A4CYP2D6CYP2C9
Octane SCHEMBL28903149 0.96 LIPG (0.55) TAAR1LIPGCYP3A4CYP2D6CYP2C9
Methoxymethane SCHEMBL22720615 0.96 TAAR1 (0.54) TAAR1LIPGCYP3A4CYP2D6CYP2C9
Hydrogen Peroxide SCHEMBL9770513 0.96 TAAR1 (0.54) TAAR1LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL1087485 0.93 LIPG (0.57) TAAR1LIPGTLR8TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B TAAR1 3913/4885LIPG 2665/4885CYP3A4 397/4885

“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.