SCHEMBL5007600

SCHEMBL5007600

C[CH]COC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
TK1 P04183 1/20 0.37
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BTN3A1 O00481 5/20 0.34
ELANE P08246 3/20 0.34
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30542157 0.82 TK1 (0.49) PRKCATK1POLBGAANPSR1
SCHEMBL2438352 0.81 TK1 (0.42) PRKCATK1POLBGAANPSR1
SCHEMBL4953067 0.80 PRKCA (0.41) PRKCATK1POLBGAANPSR1
SCHEMBL5009120 0.79 CYP4F2 (0.36) CYP4F2CYP4A11
SCHEMBL194466 0.78 TSHR (0.42) PRKCATK1POLBGAANPSR1
SCHEMBL1685656 0.76 BTN3A1 (0.44) PRKCATK1POLBGAANPSR1
SCHEMBL14844517 0.76 TK1 (0.39) PRKCATK1POLBGAANPSR1
SCHEMBL15968333 0.76 TK1 (0.39) PRKCATK1POLBGAANPSR1
SCHEMBL5493183 0.76
SCHEMBL24961271 0.75 TK1 (0.41) PRKCATK1POLBGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300196-A1 MONOSACCHARIDE DERIVATIVES RANBAXY LABORATORIES LIMITED (IN) 2008-12-04 US claimed
US-5475114-A Angiotensin-11 antagonist; therapeutical agent used for treating hypertension and chronic heart failure YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-12-12 US disclosed
EP-0646584-A1 PYRAZOLOTRIAZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-04-05 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-20080300196-A1 MONOSACCHARIDE DERIVATIVES HLA-DRB1, ASGR1, CSGALNACT1 PRKCA 3410/4885TK1 2494/4885POLB 3607/4885

“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.