SCHEMBL7590865

SCHEMBL7590865

CCOC(=O)C(=O)c1cccc(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
GAA P10253 3/20 0.53
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DHODH Q02127 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NLRP3 Q96P20 2/20 0.44
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL1190834 0.85 TSHR (0.57) CYP3A4CYP2D6GAATSHRMEN1
SCHEMBL17420759 0.83 ALDH1A1 (0.53) CYP3A4CYP2D6GAATSHRMEN1
SCHEMBL17420751 0.83 TSHR (0.46) CYP3A4CYP2D6GAATSHRMEN1
SCHEMBL30628231 0.83 ALDH1A1 (0.53) CYP3A4CYP2D6GAATSHRMEN1
SCHEMBL30628279 0.83 TSHR (0.46) CYP3A4CYP2D6GAATSHRMEN1
SCHEMBL30968707 0.81 TSHR (0.68) CYP3A4CYP2D6GAATSHRMEN1
SCHEMBL574192 0.81 TSHR (0.68) CYP3A4CYP2D6GAATSHRMEN1
Dimethylamine SCHEMBL8210405 0.81 GAA (0.53) CYP3A4CYP2D6GAATSHRMEN1
SCHEMBL9864607 0.80 ESR1 (0.52) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL11610093 0.80 ALDH1A1 (0.51) CYP3A4CYP2D6GAATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020007068-A1 Piperidine derivatives and process for their production D AMBRA THOMAS E (US) 2002-01-17 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-20020007068-A1 Piperidine derivatives and process for their production DRD4, HRH4, DRD2 CYP3A4 10/4885CYP2D6 264/4885GAA 4400/4885

“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.