SCHEMBL3582813

SCHEMBL3582813

COc1ccc(CCCOOS(C)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
APLNR P35414 1/20 0.46
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
MAOB P27338 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2RL1 P55085 1/20 0.42
PTGS2 P35354 1/20 0.42
BMP1 P13497 1/20 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
SCHEMBL1845841 0.83 APLNR (0.53) CALM1CA12CA1CA2CA5A
SCHEMBL1843955 0.79 APLNR (0.51) CALM1CA12CA1CA2CA5A
SCHEMBL24041808 0.78 APLNR (0.47) CALM1CA12CA1CA2CA5A
SCHEMBL9701570 0.77 TDP1 (0.54) CALM1CA12CA1CA2CA5A
SCHEMBL1845745 0.76 APLNR (0.56) CALM1CA12CA1CA2CA5A
SCHEMBL11740096 0.75 CALM1 (0.62) CALM1CA12CA1CA2CA9
SCHEMBL13737590 0.75 CALM1 (0.53) CALM1ALOX5SMN1; SMN2TAAR1IGF1R
SCHEMBL4254058 0.74 CALM1 (0.72) CALM1CA12CA1CA2CA9
SCHEMBL244070 0.74 CALM1 (0.79) CALM1CA12CA1CA2CA9
SCHEMBL3582815 0.73 CALM1 (0.51) CALM1CA12CA1CA2CA5A

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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO CALM1 3504/4885CA12 4815/4885CA1 4743/4885

“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.