SCHEMBL16640872

SCHEMBL16640872

CCCCCCCCOP(=O)(O)C(C)(O)P(C)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.56
LPAR2 Q9HBW0 6/20 0.56
LPAR1 Q92633 3/20 0.56
SMPD1 P17405 3/20 0.42
FDPS P14324 8/20 0.42
GGPS1 O95749 5/20 0.42

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
SCHEMBL27959316 0.91 LPAR3 (0.62) LPAR3LPAR2LPAR1SMPD1FDPS
SCHEMBL28580285 0.88 LPAR3 (0.58) LPAR3LPAR2LPAR1SMPD1FDPS
Cyclohexane SCHEMBL28564136 0.83 LPAR3 (0.53) LPAR3LPAR2LPAR1SMPD1FDPS
SCHEMBL8055462 0.80 CYP3A4 (0.48) LPAR3LPAR2LPAR1FDPSGGPS1
SCHEMBL18307669 0.79 LPAR3 (0.56) LPAR3LPAR2LPAR1SMPD1FDPS
SCHEMBL18307658 0.79 LPAR3 (0.56) LPAR3LPAR2LPAR1SMPD1FDPS
SCHEMBL18307656 0.79 LPAR3 (0.56) LPAR3LPAR2LPAR1SMPD1FDPS
SCHEMBL18307674 0.79 LPAR3 (0.56) LPAR3LPAR2LPAR1SMPD1FDPS
SCHEMBL18307663 0.79 LPAR3 (0.56) LPAR3LPAR2LPAR1SMPD1FDPS
SCHEMBL18307671 0.79 LPAR3 (0.56) LPAR3LPAR2LPAR1SMPD1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126918-B2 Process for preparing cyclohexanol and cycohexanone from cyclohexane XIAO ZAOSHENG (CN) 2015-09-08 US disclosed
US-20150105589-A1 Process for preparing cyclohexanol and cycohexanone from cyclohexane XIAO ZAOSHENG (CN) 2015-04-16 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-20150105589-A1 Process for preparing cyclohexanol and cycohexanone from cyclohexane DOHH, HPD, DHPS LPAR3 4307/4885LPAR2 3052/4885LPAR1 2795/4885

“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.