SCHEMBL15919082

SCHEMBL15919082

CCc1cc2cc(C)oc2o1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
NQO1 P15559 1/20 0.31

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
SCHEMBL13072347 0.81 DYRK1A (0.37) CA1CA9NQO1
SCHEMBL15918971 0.81 CA1 (0.43) CA1CA9NQO1
SCHEMBL17090707 0.79 DYRK1A (0.36) CA1CA9
SCHEMBL18800852 0.73 NQO1 (0.33) CA1CA9NQO1
SCHEMBL18876238 0.68 NQO1 (0.39) CA1CA9NQO1
SCHEMBL18876234 0.68 CA1 (0.34) CA1CA9NQO1
SCHEMBL18876349 0.68 TLR8 (0.31)
SCHEMBL11559549 0.67 MAOB (0.49) CA1CA9
SCHEMBL13699027 0.67 ALDH1A1 (0.44)
SCHEMBL1176772 0.67 NQO1 (0.61) CA1CA9NQO1

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 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 (3 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 CA1 1975/4885CA9 2277/4885NQO1 4667/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CA1 1975/4885CA9 2277/4885NQO1 4667/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CA1 1975/4885CA9 2277/4885NQO1 4667/4885

“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.