SCHEMBL3703967

SCHEMBL3703967

COC(=O)C(C(C)=O)C(=O)c1ccc(CCl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR1 P03372 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
SCHEMBL1738 0.79 MAPT (0.43) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL28780782 0.78 KMT2A (0.50) ALDH1A1ALOX15KMT2AKDM4EGAA
SCHEMBL12465670 0.75 MAPK1 (0.54) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL2761249 0.73 NAPRT (0.47) KMT2AMEN1MAPTPOLBRAB9A
SCHEMBL7861436 0.72 ALDH1A1 (0.50) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL7861437 0.72 ALDH1A1 (0.50) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL200 0.72 LOXL2 (0.66) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL22249514 0.72 CA1 (0.55) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL3144570 0.72 TDP1 (0.49) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL9352915 0.71 CA1 (0.50) CA1CA2ALDH1A1KMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO 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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 CA1 3936/4885CA2 2174/4885ALDH1A1 3791/4885

“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.