SCHEMBL1369731

SCHEMBL1369731

CC(C(=O)O)c1cnc(Cc2ccccc2O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.39
AKR1B1 P15121 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
P2RX3 P56373 1/20 0.36
CMA1 P23946 3/20 0.36
GPR55 Q9Y2T6 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APAF1 O14727 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2486672 0.84 AR (0.49) PTGS1PTGS2POLBMAPTL3MBTL1
SCHEMBL1366570 0.82 PARP1 (0.38) PTGS1PTGS2
SCHEMBL1367124 0.78 L3MBTL1 (0.38) PTGS1PTGS2POLBL3MBTL1
SCHEMBL14999720 0.77 AKR1B1 (0.57) HSPA5AKR1B1KDM4EMAPTCYP1A2
SCHEMBL1369734 0.77 SLC1A5 (0.49) POLBKDM4EMAPT
SCHEMBL1369142 0.76 KDR (0.47) MAPT
SCHEMBL1369203 0.70 RAB9A (0.51) MAPT
SCHEMBL17491866 0.69 PTGS2 (0.50) AKR1B1PTGS1PTGS2POLBKDM4E
SCHEMBL27600409 0.68 SLC7A5 (0.44) PTGS1PTGS2
SCHEMBL153695 0.68 PTGS2 (0.59) PTGS1PTGS2POLBKDM4EMAPT

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 HSPA5 2155/4885AKR1B1 1246/4885PTGS1 40/4885

“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.