SCHEMBL13043489

SCHEMBL13043489

CCCCCCCCn1c(C)c(C(c2ccccc2C(=O)OCCSC)c2c(C)n(CCCCCCCC)c3ccccc23)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.47
▸ CNR1 P21554 10/20 0.47
▸ SLC6A3 Q01959 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL13140038 0.89 KDM4E (0.40) ALDH1A1HTTL3MBTL1HTR3EHTR3B
SCHEMBL9816222 0.86 CNR2 (0.53) CNR2CNR1SLC6A3ALDH1A1HTT
SCHEMBL7188117 0.73 NR4A2 (0.48) ALDH1A1HTTL3MBTL1
SCHEMBL7193177 0.71 TSHR (0.39) CNR2CNR1ALDH1A1HTTL3MBTL1
SCHEMBL9657072 0.71 CNR2 (0.52) CNR2CNR1SLC6A3
SCHEMBL9657145 0.70 PGR (0.54) CNR2CNR1SLC6A3ALDH1A1L3MBTL1
SCHEMBL14541305 0.69 CNR2 (0.49) CNR2CNR1SLC6A3ALDH1A1HTT
SCHEMBL9658044 0.66 RORA (0.49) CNR2CNR1SLC6A3ALDH1A1L3MBTL1
SCHEMBL7435807 0.66 HTR3E (0.64) ALDH1A1L3MBTL1HTR3EHTR3BHTR3A
SCHEMBL3220484 0.66 ALDH1A1 (0.77) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 — — US disclosed
US-7789916-B2 Triarylmethane dyes CIBA CORPORATION (US) 2010-09-07 — — US disclosed
US-20090151091-A1 Triarylmethane Dyes CIBA CORP. 2009-06-18 — — US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 — — 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 (2 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-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA CNR2 4297/4885CNR1 4394/4885SLC6A3 2847/4885
US-20090151091-A1 Triarylmethane Dyes CBR3, CCNB1, CYC1 CNR2 235/4885CNR1 171/4885SLC6A3 2733/4885

“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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