SCHEMBL2813016

SCHEMBL2813016

C#CNc1cccc(CCCCCCCCCCCC)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.49
LIPG Q9Y5X9 3/20 0.49
S1PR1 P21453 5/20 0.45
S1PR4 O95977 3/20 0.45
S1PR5 Q9H228 3/20 0.45
S1PR3 Q99500 2/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 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
SCHEMBL10641791 0.84 LPL (0.49) LPLLIPGS1PR1S1PR4S1PR5
SCHEMBL5543430 0.83 LPL (0.47) LPLLIPGS1PR1S1PR4S1PR5
SCHEMBL11871771 0.82 LPL (0.56) LPLLIPGS1PR1S1PR4S1PR5
SCHEMBL29767685 0.82 LPL (0.56) LPLLIPGS1PR1S1PR4S1PR5
SCHEMBL9418466 0.82 LPL (0.56) LPLLIPGS1PR1S1PR4S1PR5
SCHEMBL5253068 0.79 S1PR1 (0.54) LPLLIPGS1PR1S1PR4S1PR5
SCHEMBL11855197 0.79 LPL (0.57) LPLLIPGS1PR1S1PR4S1PR5
SCHEMBL22547606 0.79 LPL (0.57) LPLLIPGS1PR1S1PR4S1PR5
SCHEMBL6627133 0.79 LPL (0.53) LPLLIPGS1PR1S1PR4S1PR5
SCHEMBL11677098 0.79 LPL (0.53) LPLLIPGS1PR1S1PR4S1PR5

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 3 patents. 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
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B LPL 4749/4885LIPG 4862/4885S1PR1 4414/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 LPL 4605/4885LIPG 4583/4885S1PR1 2915/4885

“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.