SCHEMBL23748835

SCHEMBL23748835

C=CCCCCCOC(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.50
LPAR2 Q9HBW0 1/20 0.50
ALDH1A1 P00352 5/20 0.48
TSHR P16473 4/20 0.48
CYP3A4 P08684 3/20 0.48
MAPT P10636 3/20 0.47
ABCC4 O15439 1/20 0.47
LMNA P02545 2/20 0.46
USP2 O75604 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
SLC2A1 P11166 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9409656 1.00 LPAR3 (0.50) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL7034812 1.00 LPAR3 (0.50) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL28629366 1.00 LPAR3 (0.50) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL28559439 1.00 LPAR3 (0.50) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL9752472 0.98 LPAR3 (0.47) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL867712 0.91
SCHEMBL823794 0.89 LPAR3 (0.44) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL10991327 0.83 LPAR3 (0.53) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL8663433 0.83 LPAR3 (0.53) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL6951113 0.83 LPAR3 (0.53) LPAR3LPAR2ALDH1A1TSHRCYP3A4

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-12030868-B2 Prodrugs of CGRP antagonists PFIZER IRELAND PHARMACEUTICALS (IE) 2024-07-09 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
EP-3863629-A1 PRODRUGS OF CGRP ANTAGONISTS Biohaven Pharmaceutical Holding Company Ltd. (US) 2021-08-18 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-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS CALCRL, CALCA, CALCB LPAR3 850/4885LPAR2 986/4885ALDH1A1 1757/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB LPAR3 850/4885LPAR2 986/4885ALDH1A1 1757/4885

“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.