SCHEMBL13065985

SCHEMBL13065985

CCCCCCc1cccc(NC(=O)c2cc(N)cc(C(=O)Nc3cccc(CCCCCC)c3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.59
S1PR4 O95977 3/20 0.59
S1PR5 Q9H228 3/20 0.59
S1PR3 Q99500 2/20 0.59
PLK1 P53350 1/20 0.57
TRPV1 Q8NER1 8/20 0.51
THRB P10828 1/20 0.49
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
TLR8 Q9NR97 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL9978978 0.88 TRPV1 (0.62) S1PR1S1PR4S1PR5S1PR3PLK1
SCHEMBL30605278 0.84 TRPV1 (0.66) S1PR1S1PR4S1PR5S1PR3PLK1
SCHEMBL25938725 0.84 TRPV1 (0.66) S1PR1S1PR4S1PR5S1PR3PLK1
SCHEMBL9979424 0.82 ABCG2 (0.54) TRPV1THRB
SCHEMBL688080 0.82 PLK1 (0.53) S1PR1S1PR4S1PR5S1PR3PLK1
SCHEMBL4811926 0.81 S1PR1 (0.57) S1PR1S1PR4S1PR5S1PR3PLK1
SCHEMBL77257 0.81 S1PR1 (0.60) S1PR1S1PR4S1PR5S1PR3PLK1
SCHEMBL11340641 0.81 S1PR1 (0.60) S1PR1S1PR4S1PR5S1PR3PLK1
SCHEMBL10762816 0.80 S1PR1 (0.58) S1PR1S1PR4S1PR5S1PR3PLK1
SCHEMBL11747076 0.80 S1PR1 (0.53) S1PR1S1PR4S1PR5S1PR3PLK1

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 S1PR1 2915/4885S1PR4 3947/4885S1PR5 3699/4885

“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.