SCHEMBL1369743

SCHEMBL1369743

CC(C(=O)O)c1cnc(Cc2ccc(OCCc3ccc(Cl)cc3)cc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.48
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.42
PPARD Q03181 2/20 0.42
FFAR1 O14842 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LTA4H P09960 1/20 0.41
KDR P35968 1/20 0.39
TP53 P04637 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL1367408 0.84 PTGDR2 (0.69) PTGDR2PPARGPPARAPPARDFFAR1
SCHEMBL1369142 0.82 KDR (0.47) LTA4HKDR
SCHEMBL1369635 0.81 PTGDR2 (0.71) PTGDR2PPARGPPARAPPARDFFAR1
SCHEMBL1369034 0.81 PTGDR2 (0.52) PTGDR2PPARGPPARAPPARDTP53
SCHEMBL2486677 0.80 PTGDR2 (0.49) PTGDR2PPARGPPARAPPARDFFAR1
SCHEMBL1366570 0.79 PARP1 (0.38) ADRA1AHRH1HRH3
SCHEMBL1367124 0.78 L3MBTL1 (0.38)
SCHEMBL1369734 0.78 SLC1A5 (0.49) TP53
SCHEMBL14859707 0.76 MAPT (0.48) PTGDR2TP53
SCHEMBL14859479 0.76 MAPT (0.46) TP53

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-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 US disclosed
EP-2377851-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2011-10-19 EP 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-20110288293-A1 ISOQUINOLINE DERIVATIVE HRH1, HRH2, HRH4 PTGDR2 189/4885PPARG 1874/4885PPARA 2921/4885

“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.