SCHEMBL16180754

SCHEMBL16180754

CCCCCCCCCCCCCCCC(=O)CCCCCCCCC=CCCCCCCCC(=O)OP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.53
P2RY10 O00398 4/20 0.50
GPR34 Q9UPC5 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LPAR1 Q92633 5/20 0.46
ENPP2 Q13822 2/20 0.46
LPAR4 Q99677 2/20 0.46
LPAR5 Q9H1C0 2/20 0.46
LPAR2 Q9HBW0 2/20 0.46
LPAR3 Q9UBY5 2/20 0.46
CES2 O00748 1/20 0.46
LPAR6 P43657 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL23001085 0.96 FABP3 (0.56) FABP3P2RY10GPR34ALDH1A1LPAR1
SCHEMBL9027639 0.96 FABP3 (0.56) FABP3P2RY10GPR34ALDH1A1LPAR1
SCHEMBL515226 0.96 FABP3 (0.56) FABP3P2RY10GPR34ALDH1A1LPAR1
SCHEMBL52780 0.96 FABP3 (0.56) FABP3P2RY10GPR34ALDH1A1LPAR1
SCHEMBL20472539 0.96 FABP3 (0.56) FABP3P2RY10GPR34ALDH1A1LPAR1
SCHEMBL5190825 0.89 FABP3 (0.62) FABP3P2RY10GPR34
SCHEMBL5475892 0.89 FABP3 (0.62) FABP3P2RY10GPR34
SCHEMBL1643923 0.89 FABP3 (0.62) FABP3P2RY10GPR34
SCHEMBL23166803 0.85 ALDH1A1 (0.53) FABP3ALDH1A1LPAR1ENPP2LPAR4
SCHEMBL23091273 0.85 ALDH1A1 (0.53) FABP3ALDH1A1LPAR1ENPP2LPAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241578-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME UNIV DREXEL (US) 2019-08-08 US disclosed
US-10287290-B2 Compositions useful in treating brain-related diseases or disorders and methods using same DREXEL UNIVERSITY (US) 2019-05-14 US disclosed
US-20170190709-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME UNIV DREXEL (US) 2017-07-06 US disclosed
US-9616065-B2 Compositions useful in treating brain-related diseases or disorders and methods using same DREXEL UNIVERSITY (US) 2017-04-11 US disclosed
US-20160074408-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-03-17 US disclosed
WO-2014172453-A2 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME PHILADELPHIA HEALTH AND EDUCATION CORPORATION D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2014-10-23 WO 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 (4 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-20190241578-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME SLC18A2, SLC6A2, SLC1A2 FABP3 351/4885P2RY10 2097/4885GPR34 1607/4885
US-20170190709-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME SLC18A2, SLC6A2, SLC1A2 FABP3 351/4885P2RY10 2097/4885GPR34 1607/4885
US-10287290-B2 Compositions useful in treating brain-related diseases or disorders and methods using same SLC18A2, SLC6A2, SLC1A2 FABP3 533/4885P2RY10 1814/4885GPR34 1839/4885
US-20160074408-A1 NOVEL COMPOSITIONS USEFUL IN TREATING BRAIN-RELATED DISEASES OR DISORDERS AND METHODS USING SAME SLC18A2, SLC18A3, SLC1A2 FABP3 404/4885P2RY10 2189/4885GPR34 1695/4885

“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.