SCHEMBL340078

SCHEMBL340078

CCCCCP(=O)(O)C(C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 10/20 0.46
LPAR3 Q9UBY5 3/20 0.45
LPAR2 Q9HBW0 1/20 0.45
GPR84 Q9NQS5 4/20 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
SCHEMBL338061 0.98 LPAR3 (0.48) TRPM8LPAR3LPAR2GPR84
SCHEMBL338652 0.94 TRPM8 (0.44) TRPM8LPAR3LPAR2GPR84
SCHEMBL339669 0.86 FOLH1 (0.36) TRPM8GPR84
Hydrochloric Acid SCHEMBL11592367 0.81 LPAR3 (0.46) TRPM8LPAR3LPAR2
Hydrochloric Acid SCHEMBL11591524 0.81 LPAR3 (0.46) TRPM8LPAR3LPAR2
SCHEMBL339817 0.80 LPAR3 (0.44) TRPM8LPAR3LPAR2GPR84
SCHEMBL339376 0.79 LPAR3 (0.47) TRPM8LPAR3LPAR2GPR84
SCHEMBL340054 0.79 FOLH1 (0.36)
SCHEMBL338953 0.78 FOLH1 (0.39) GPR84
SCHEMBL30849359 0.77 LPAR3 (0.54) TRPM8LPAR3LPAR2

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-8097753-B2 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation CLARIANT FINANCE (BVI) LIMITED (VG) 2012-01-17 US disclosed
US-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation CLARIANT INTERNATIONAL LTD 2007-09-13 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-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation PAH, ALKBH3, FTO TRPM8 4207/4885LPAR3 640/4885LPAR2 843/4885

“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.