SCHEMBL6831986

SCHEMBL6831986

CC(C)(C)OC(=O)N1CCC(CNCc2cc(C(=O)O)cc(-c3cccc(C#N)c3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
MGLL Q99685 1/20 0.44
TGFBR1 P36897 4/20 0.44
CETP P11597 2/20 0.43
GPR119 Q8TDV5 3/20 0.43
YAP1 P46937 3/20 0.43
NOTCH1 P46531 1/20 0.42
USP30 Q70CQ3 1/20 0.42
HTR6 P50406 1/20 0.41
STS P08842 1/20 0.41
PRMT5 O14744 1/20 0.40

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
SCHEMBL6318034 0.93 KDM4E (0.46) KDM4EPKMMGLLTGFBR1CETP
SCHEMBL27459780 0.87 MGLL (0.44) KDM4EPKMMGLLTGFBR1CETP
SCHEMBL7039054 0.82 MGLL (0.55) MGLL
SCHEMBL6832947 0.81 CHRM3 (0.44) USP30PRMT5
SCHEMBL7038825 0.81 NOTCH1 (0.44) KDM4EPKMMGLLTGFBR1CETP
SCHEMBL6750024 0.81 NOTCH1 (0.44) KDM4EPKMMGLLTGFBR1CETP
SCHEMBL6834696 0.80 GPR119 (0.42) KDM4EPKMMGLLTGFBR1CETP
SCHEMBL6834695 0.80 GPR119 (0.42) KDM4EPKMMGLLTGFBR1CETP
SCHEMBL7041177 0.79 HRH2 (0.44) MGLL
SCHEMBL6812071 0.79 GPR119 (0.42) KDM4EPKMMGLLCETPGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1610665-A Process for preparing cyanophenylbenzoic acid derivatives TEIJIN LTD (JP) 2005-04-27 CN claimed
US-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives TEIJIN LIMITED (JP) 2004-04-15 US claimed
EP-1361213-A1 PROCESS FOR PREPARATION OF CYANOPHENYLBENZOIC ACID DERIVATIVES TEIJIN LIMITED (JP) 2003-11-12 EP claimed
CN-1610665-A Process for preparing cyanophenylbenzoic acid derivatives TEIJIN LTD (JP) 2005-04-27 CN disclosed
US-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives TEIJIN LIMITED (JP) 2004-04-15 US disclosed
EP-1361213-A1 PROCESS FOR PREPARATION OF CYANOPHENYLBENZOIC ACID DERIVATIVES TEIJIN LIMITED (JP) 2003-11-12 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-20040072866-A1 Process for preparation of cyanophenylbenzoic acid derivatives CCNY, ACLY, IWS1 KDM4E 522/4885PKM 567/4885MGLL 4345/4885

“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.