SCHEMBL4964029

SCHEMBL4964029

CCC(C)C(C(=O)OC)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
CHRM2 P08172 2/20 0.61
CHRM4 P08173 2/20 0.61
CHRM1 P11229 2/20 0.61
CHRM3 P20309 2/20 0.61
CYP2D6 P10635 2/20 0.59
CHRM5 P08912 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
MEN1 O00255 3/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
POLB P06746 1/20 0.45
KCNA5 P22460 1/20 0.44
MMP8 P22894 1/20 0.44
ELANE P08246 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL12924873 0.84 KMT2A (0.72) KMT2ACHRM2CHRM4CHRM1CHRM3
SCHEMBL17915488 0.83 KMT2A (0.70) KMT2ACHRM2CHRM4CHRM1CHRM3
SCHEMBL11329318 0.83 KMT2A (0.70) KMT2ACHRM2CHRM4CHRM1CHRM3
SCHEMBL5522307 0.82 KMT2A (0.81) KMT2ACYP2D6MEN1PTGS1PTGS2
SCHEMBL5514748 0.82 KMT2A (0.81) KMT2ACYP2D6MEN1PTGS1PTGS2
SCHEMBL23872457 0.82 CYP2D6 (0.61) KMT2ACHRM2CHRM4CHRM1CHRM3
SCHEMBL4921518 0.82 CYP2D6 (0.61) KMT2ACHRM2CHRM4CHRM1CHRM3
SCHEMBL499471 0.82 CYP2D6 (0.61) KMT2ACHRM2CHRM4CHRM1CHRM3
SCHEMBL1578725 0.82 KMT2A (0.81) KMT2ACYP2D6MEN1PTGS1PTGS2
SCHEMBL12924861 0.80 KMT2A (0.78) KMT2ACYP2D6MEN1PTGS1PTGS2

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-20110009617-A1 Ruthenium Catalysts and Uses Thereof CHE CHI-MING 2011-01-13 US disclosed
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 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 (2 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-20110009617-A1 Ruthenium Catalysts and Uses Thereof CYCS, POR, CPNE4 KMT2A 2447/4885CHRM2 1132/4885CHRM4 1165/4885
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES DSC1, DSG1, PIEZO1 KMT2A 3381/4885CHRM2 2223/4885CHRM4 1905/4885

“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.