SCHEMBL17037114

SCHEMBL17037114

CCCCCc1cc2sc3c4cc5ccccc5cc4sc3c2cc1CCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 10/20 0.41
▸ LIPG Q9Y5X9 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL16672053 0.84 GPR35 (0.40) TLR8LIPGMAPTGPR35CYP3A4
SCHEMBL17037111 0.83 GPR3 (0.39) LIPGMAPTCNR2CNR1
SCHEMBL14982706 0.82 SIGMAR1 (0.42) LIPG
SCHEMBL20730396 0.82 SIGMAR1 (0.42) LIPG
SCHEMBL15497410 0.80 GPR35 (0.38) TLR8LIPGMAPTGPR35CYP3A4
SCHEMBL28046693 0.77 TLR8 (0.61) TLR8LIPGMAPTCYP3A4
SCHEMBL9889312 0.77 ALDH1A1 (0.39) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL29399266 0.77 ALDH1A1 (0.39) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL30257603 0.77 ALDH1A1 (0.39) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL16672065 0.77 S1PR1 (0.41) TLR8KDM4EALDH1A1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260451-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-16 — — US disclosed
US-20150239901-A1 Method For Producing Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-27 — — 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-20150239901-A1 Method For Producing Aromatic Compound TYR, XDH, CYP1A1 TLR8 4488/4885LIPG 4831/4885MAPT 3301/4885

“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.

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