SCHEMBL10322100

SCHEMBL10322100

COc1c(C=O)cc(C(=O)O)cc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 6/20 0.45
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
PTGS2 P35354 1/20 0.41
ERN1 O75460 4/20 0.40
CNR2 P34972 1/20 0.37
HTT P42858 2/20 0.36
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10323913 0.79 TPMT (0.41) TPMTCA12CA1CA2CA4
SCHEMBL10322116 0.79 TPMT (0.58) TPMTCA12CA1CA2CA4
SCHEMBL10322869 0.78 ERN1 (0.51) CA1CA2ERN1MAOB
SCHEMBL29381794 0.77 HTT (0.47) TPMTCA12CA1CA2CA4
SCHEMBL22466026 0.77 HTT (0.47) TPMTCA12CA1CA2CA4
SCHEMBL10323635 0.76 TPMT (0.44) TPMTCA12CA1CA2CA4
SCHEMBL3547114 0.75 PPARG (0.45) TPMTCA12CA1CA2CA4
SCHEMBL3548180 0.74 TPMT (0.53) TPMTCA12CA1CA2CA4
SCHEMBL3548177 0.74 TPMT (0.53) TPMTCA12CA1CA2CA4
SCHEMBL1302354 0.74 TPMT (0.63) TPMTCA12CA1CA2CA4

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 TPMT 193/4885CA12 2377/4885CA1 2558/4885

“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.