SCHEMBL10322191

SCHEMBL10322191

COc1c(C#N)cc(C(=O)O)cc1C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
TPMT P51580 4/20 0.37
HTR2A P28223 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
XDH P47989 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
PKM P14618 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 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
SCHEMBL10322483 0.94 TPMT (0.39) KMT2ATPMTHPGDALDH1A1CA12
SCHEMBL10324104 0.88 HTR2A (0.36) HTR2AHCRTR1HCRTR2SIRT5PTGDR2
SCHEMBL10323142 0.82 SLC22A12 (0.37) HTR2AHCRTR1HCRTR2HPGDALDH1A1
SCHEMBL10322131 0.82 HSD17B10 (0.38) KMT2AALDH1A1XDHCA12CA1
SCHEMBL28046034 0.81 TPMT (0.49) TPMTHPGDALDH1A1XDHCA12
SCHEMBL10323546 0.78 KMT2A (0.40) KMT2ATPMTSIRT5PTGDR2CA12
SCHEMBL7796616 0.76 KMT2A (0.47) KMT2ATPMTPTGDR2ALDH1A1PKM
SCHEMBL9787608 0.75 TPMT (0.60) TPMTHPGDALDH1A1XDHCA12
SCHEMBL28817713 0.75 KMT2A (0.43) KMT2ATPMTSIRT5PTGDR2CA12
SCHEMBL7794874 0.74 KMT2A (0.42) KMT2ATPMTPTGDR2CA12CA1

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
EP-2484669-B1 PHENOL DERIVATIVES FUJI YAKUHIN CO LTD (JP) 2015-07-29 EP disclosed
US-8367843-B2 Phenol derivative FUJI YAKUHIN CO., LTD. (JP) 2013-02-05 US disclosed
EP-2484669-A1 NOVEL PHENOL DERIVATIVE Fuji Yakuhin Co., Ltd. (JP) 2012-08-08 EP disclosed
US-20120184587-A1 NOVEL PHENOL DERIVATIVE FUJI YAKUHIN CO., LTD. (JP) 2012-07-19 US 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-20120184587-A1 NOVEL PHENOL DERIVATIVE XDH, REN, UTS2R KMT2A 3369/4885TPMT 193/4885HTR2A 2532/4885

“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.