SCHEMBL341908

SCHEMBL341908

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OC(C)c4ccc(OC)cc4)cc3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 16/20 0.68
CYP2C9 P11712 2/20 0.68
ABCC3 O15438 1/20 0.68
ABCC4 O15439 1/20 0.68
ABCB11 O95342 1/20 0.68
CYP2C8 P10632 1/20 0.68
ABCB4 P21439 1/20 0.68
ABCC2 Q92887 1/20 0.68
SLCO1B3 Q9NPD5 1/20 0.68
SLCO1B1 Q9Y6L6 1/20 0.68
LPAR3 Q9UBY5 9/20 0.55
LPAR2 Q9HBW0 2/20 0.45
HRH1 P35367 1/20 0.41
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BRD4 O60885 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
SCHEMBL341907 1.00 LPAR1 (0.68) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL343065 0.93 LPAR1 (0.71) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL343066 0.93 LPAR1 (0.71) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL8006 0.91 LPAR1 (0.82) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL8005 0.91 LPAR1 (0.82) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL1325246 0.91 LPAR1 (0.82) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL343903 0.91 LPAR1 (0.66) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL343902 0.91 LPAR1 (0.66) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL343106 0.90 LPAR1 (0.83) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL343107 0.90 LPAR1 (0.83) LPAR1CYP2C9ABCC3ABCC4ABCB11

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
EP-2438048-B1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2013-12-18 EP disclosed
US-8273780-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8058300-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 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 (2 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-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885CYP2C9 4770/4885ABCC3 2717/4885
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885CYP2C9 4770/4885ABCC3 2717/4885

“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.