SCHEMBL14711003

SCHEMBL14711003

COC(=O)C1(c2ccc3c(c2)CCc2cc(-c4onc(C)c4C(=O)O)ccc2-3)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB4 P21439 1/20 0.37
LPAR1 Q92633 1/20 0.37
ABCC2 Q92887 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
SMN1; SMN2 Q16637 8/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
PDE4D Q08499 1/20 0.34
HTT P42858 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 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
SCHEMBL14711012 0.90 AKR1C3 (0.42) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14711010 0.89 ALDH1A1 (0.41) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14711158 0.86 ABCC3 (0.39) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14794646 0.85 LPAR1 (0.47) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14790743 0.85 S1PR1 (0.33) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14790744 0.82 ABCC3 (0.32) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14794886 0.79 LPAR1 (0.67) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14709620 0.78 S1PR1 (0.39) SMN1; SMN2NPC1RAB9AHSD17B10HPGD
SCHEMBL15897184 0.77 S1PR1 (0.36) SMN1; SMN2NPC1RAB9AHSD17B10HPGD
SCHEMBL14709687 0.75 AKR1B1 (0.44) LPAR1

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ABCC3 2708/4885ABCC4 3043/4885ABCB11 1860/4885

“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.