SCHEMBL13239753

SCHEMBL13239753

C=CC[C@@H](CC[C@H](C)COCCCC)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.36
LPAR3 Q9UBY5 4/20 0.36
LPAR2 Q9HBW0 1/20 0.36
PLA2G2C Q5R387 1/20 0.35
TLR2 O60603 7/20 0.32
CYP3A4 P08684 1/20 0.31
DNM1 Q05193 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL13239248 0.82 TSHR (0.36) LPAR1LPAR3LPAR2PLA2G2CTLR2
SCHEMBL16189800 0.80 DNM1 (0.38) LPAR1LPAR3LPAR2DNM1
SCHEMBL1776900 0.78 DNM1 (0.42) LPAR1LPAR3LPAR2DNM1
SCHEMBL15624089 0.77 TSHR (0.41) PLA2G2CDNM1
SCHEMBL13419618 0.77 PRKD3 (0.46) LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL14755325 0.76 PLA2G2C (0.35) LPAR1LPAR3LPAR2PLA2G2CCYP3A4
SCHEMBL2632269 0.76 PLA2G2C (0.35) LPAR1LPAR3LPAR2PLA2G2CCYP3A4
SCHEMBL3114895 0.76 TSHR (0.45) LPAR1LPAR3PLA2G2CCYP3A4
SCHEMBL1781072 0.73 DNM1 (0.50) LPAR1LPAR3LPAR2DNM1
SCHEMBL7916613 0.72 PLA2G2C (0.33) LPAR1LPAR3LPAR2PLA2G2C

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-8350062-B2 Synthesis and anticancer activity of new actin-targeting small-molecule agents THE UNIVERSITY OF CHICAGO (US) 2013-01-08 US disclosed
US-20100217019-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF NEW ACTIN-TARGETING SMALL-MOLECULE AGENTS THE UNIVERSITY OF CHICAGO 2010-08-26 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-20100217019-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF NEW ACTIN-TARGETING SMALL-MOLECULE AGENTS ACTR2, ACTR3, ACTB LPAR1 3008/4885LPAR3 2579/4885LPAR2 3446/4885

“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.