SCHEMBL17265481

SCHEMBL17265481

COC(CC(C)(C)c1ccccc1)c1c(C)noc1-c1ccc(Br)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.34
MAPT P10636 2/20 0.33
LPAR1 Q92633 3/20 0.32
LPAR3 Q9UBY5 1/20 0.32
TP53 P04637 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ABCC3 O15438 1/20 0.31
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
ABCB4 P21439 1/20 0.31
ABCC2 Q92887 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
SCHEMBL14596 0.84 LPAR1 (0.33) NR1H4MAPTLPAR1LPAR3GAA
SCHEMBL17265483 0.79 LPAR1 (0.39) MAPTLPAR1LPAR3SMN1; SMN2ABCC3
SCHEMBL17265482 0.78 LPAR1 (0.39) MAPTLPAR1LPAR3SMN1; SMN2ABCC3
SCHEMBL9213 0.76 LPAR1 (0.42) NR1H4MAPTLPAR1LPAR3RAB9A
SCHEMBL17265469 0.73 NR1H4 (0.37) NR1H4LMNA
SCHEMBL1909 0.72 LPAR1 (0.36) NR1H4MAPTLPAR1LPAR3TP53
SCHEMBL1925 0.72 LPAR1 (0.36) NR1H4MAPTLPAR1LPAR3TP53
SCHEMBL11033 0.72 TP53 (0.35) NR1H4MAPTLPAR1LPAR3TP53
SCHEMBL1060 0.70 LPAR1 (0.35) NR1H4MAPTLPAR1LPAR3TP53
SCHEMBL1230 0.70 LPAR1 (0.35) NR1H4MAPTLPAR1LPAR3TP53

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-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 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-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 NR1H4 115/4885MAPT 3775/4885LPAR1 1/4885

“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.