SCHEMBL13552

SCHEMBL13552

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1Nc1cccc(-c2cccc(N)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.51
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
ABCB4 P21439 1/20 0.51
ABCC2 Q92887 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
KARS1 Q15046 1/20 0.42
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAP3K5 Q99683 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LPAR3 Q9UBY5 1/20 0.34
AKT1 P31749 4/20 0.33
AKT2 P31751 2/20 0.33

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
SCHEMBL12983227 0.91 LPAR1 (0.52) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4576 0.91 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL3222 0.90 LPAR1 (0.50) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL3755 0.90 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4797 0.90 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL3254 0.88 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12983836 0.88 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL3618 0.88 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4264 0.87 ABCC3 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4664 0.87 LPAR1 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8

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
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885ABCC3 2836/4885ABCC4 2969/4885

“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.