SCHEMBL3587212

SCHEMBL3587212

CCCCC(C)(C)COc1ccc(-c2ncccc2C(=O)O)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SLC22A12 Q96S37 1/20 0.43

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
SCHEMBL3584954 0.91 XDH (0.48) XDHSLC22A12
SCHEMBL3583752 0.89 XDH (0.57) XDHSLC22A12
SCHEMBL3592202 0.89 XDH (0.46) XDHSLC22A12
SCHEMBL3581421 0.87 ALDH1A1 (0.61) XDHALDH1A1HPGD
SCHEMBL3583160 0.86 XDH (0.48) XDHSLC22A12
SCHEMBL3592102 0.85 XDH (0.46) XDHSLC22A12
SCHEMBL3589658 0.85 XDH (0.46) XDHSLC22A12
SCHEMBL3590050 0.82 XDH (0.42) XDHALDH1A1SLC22A12
SCHEMBL3589390 0.82 XDH (0.42) XDHSLC22A12
SCHEMBL3589465 0.82 XDH (0.44) XDHSLC22A12

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 XDH 1/4885ALDH1A1 429/4885HPGD 746/4885

“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.