SCHEMBL3104614

SCHEMBL3104614

COc1ccc(-c2cc(C3CC4CCC(C3)N4)nn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 11/20 0.49
▸ PTGS1 P23219 7/20 0.49
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RPA1 P27694 2/20 0.44
▸ MALT1 Q9UDY8 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CACNA1B Q00975 2/20 0.41

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
SCHEMBL13993264 0.96 PTGS2 (0.46) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL3100346 0.83 MEN1 (0.52) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL14504449 0.81 MGLL (0.52) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL3096791 0.79 MEN1 (0.48) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL27914757 0.79 PTGS2 (0.49) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL3093919 0.78 KCNJ6 (0.50) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL13352411 0.77 CCKAR (0.48) PTGS2PTGS1RPA1
SCHEMBL14504928 0.77 PTGS2 (0.47) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL14504805 0.76 PTGS2 (0.46) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL14714593 0.76 CCKAR (0.48) PTGS2PTGS1RPA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 — — 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 PTGS2 567/4885PTGS1 871/4885CYP1A2 3328/4885

“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.

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