SCHEMBL7780302

SCHEMBL7780302

CCCCCCCCCCCCCCOP(=O)(OCl)OCCCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
LPAR3 Q9UBY5 8/20 0.57
LPAR2 Q9HBW0 6/20 0.57
LPAR1 Q92633 3/20 0.57
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CDC25A P30304 1/20 0.46
AGTR1 P30556 1/20 0.46
AKT1 P31749 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
LPAR5 Q9H1C0 1/20 0.40

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
SCHEMBL28608720 1.00 CYP3A4 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL177972 1.00 CYP3A4 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL177766 1.00 CYP3A4 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL1261050 1.00 CYP3A4 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL11350922 1.00 CYP3A4 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL5850379 1.00 CYP3A4 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL178107 0.98 CYP3A4 (0.62) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL25170777 0.96 CYP3A4 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL29151411 0.96 CYP3A4 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL6310977 0.96 CYP3A4 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR

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-20010056074-A1 Novel lipophilic compounds having affinity with nucleic acids and therapeutical uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIOUE CNPS (FR) 2001-12-27 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-20010056074-A1 Novel lipophilic compounds having affinity with nucleic acids and therapeutical uses thereof RNASEH1, SLC67A1, HNRNPA1 CYP3A4 4684/4885LPAR3 162/4885LPAR2 267/4885

“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.