SCHEMBL15912503

SCHEMBL15912503

CCc1c[nH]c2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.42
LIPG Q9Y5X9 9/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
HIF1A Q16665 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
GPR84 Q9NQS5 2/20 0.36
CSF1R P07333 1/20 0.36
CFTR P13569 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL1337645 0.89 LPL (0.42) LPLLIPGPRMT5WDR77HIF1A
SCHEMBL2422531 0.85 NPC1 (0.48) LPLLIPGHTR2A
SCHEMBL8167516 0.83 PKM (0.56) PRMT5WDR77HIF1AROCK1
SCHEMBL15897705 0.82 NPC1 (0.41) PRMT5WDR77HIF1ACSF1RROCK1
SCHEMBL11000 0.81 ATM (0.41) LPLLIPGCA1CA2CA9
SCHEMBL31468044 0.79 LPL (0.45) LPLLIPGCA1CA2CA9
SCHEMBL30665809 0.79 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL30665811 0.79 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL30742479 0.79 CYP1A2 (0.40) LPLLIPGPRMT5WDR77
SCHEMBL26879745 0.79 CYP1A2 (0.40) LPLLIPGPRMT5WDR77

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPL 111/4885LIPG 97/4885CA1 1975/4885

“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.