SCHEMBL14667889

SCHEMBL14667889

CCCCCCc1csc(-c2sc(-c3sccc3CCCCCC)cc2CCCCCC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.33
▸ TP53 P04637 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PTGS2 P35354 3/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ TACR2 P21452 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32

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
SCHEMBL12610457 1.00 GPR35 (0.33) GPR35TP53CYP3A4MEN1ALOX5
SCHEMBL15478097 1.00 GPR35 (0.33) GPR35TP53CYP3A4MEN1ALOX5
SCHEMBL86120 0.94 GPR35 (0.31) GPR35
SCHEMBL13197214 0.92 PTGS2 (0.37) GPR35TP53CYP3A4MEN1ALOX5
SCHEMBL14666230 0.92 PTGS2 (0.37) GPR35TP53CYP3A4MEN1ALOX5
SCHEMBL5572576 0.92 PTGS2 (0.37) GPR35TP53CYP3A4MEN1ALOX5
SCHEMBL86116 0.92 GPR35 (0.31) GPR35
SCHEMBL13839137 0.91 GPR35 (0.31) GPR35
SCHEMBL13325264 0.89 — —
SCHEMBL85687 0.87 — —

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-20130026458-A1 CROSSLINKABLE COMPOSITION DAICEL CORPORATION (JP) 2013-01-31 — — 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-20130026458-A1 CROSSLINKABLE COMPOSITION DDC, ODC1, SRM GPR35 2784/4885TP53 1488/4885CYP3A4 3859/4885

“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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