SCHEMBL844142

SCHEMBL844142

COC(Cn1cc(C(=O)O)c(=O)cc1C)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TYR P14679 2/20 0.36
HAAO P46952 1/20 0.35
MEN1 O00255 1/20 0.35
ABCC4 O15439 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 4/20 0.34
MYC P01106 1/20 0.33

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
SCHEMBL17928491 0.85 ALDH1A1 (0.36) ALDH1A1LMNAPOLBRECQLKDM4E
SCHEMBL19755594 0.83 LMNA (0.36) ALDH1A1LMNAPOLBRECQLKDM4E
SCHEMBL17928506 0.82 BRD4 (0.35) ALDH1A1LMNAPOLBRECQLKDM4E
SCHEMBL17934252 0.80 ALDH1A1 (0.33) ALDH1A1LMNAPOLBRECQLKDM4E
SCHEMBL17934284 0.80 ALDH1A1 (0.33) ALDH1A1LMNAPOLBRECQLKDM4E
SCHEMBL11557176 0.78 ALDH1A1 (0.53) ALDH1A1LMNAPOLBRECQLKDM4E
SCHEMBL15485807 0.78 ALDH1A1 (0.47) ALDH1A1LMNAPOLBRECQLTYR
SCHEMBL844095 0.75 CNR2 (0.46) ALDH1A1LMNAPOLBRECQLKDM4E
SCHEMBL9895697 0.75 CNR2 (0.66) MEN1KMT2ACNR2
SCHEMBL17934233 0.74 KDM4E (0.30) ALDH1A1KDM4EHPGDTSHRRAB9A

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-20120149735-A1 1,4-Dihydropyridine Derivatives and Their Uses CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE LILLE (FR) 2012-06-14 US disclosed
EP-2432763-A1 1,4 DIHYDROPYRIDINE DERIVATIVES AND THEIR USES Université de Lille 2 Droit et Santé (FR) 2012-03-28 EP disclosed
WO-2010133973-A1 1,4 DIHYDROPYRIDINE DERIVATIVES AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2010-11-25 WO 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-20120149735-A1 1,4-Dihydropyridine Derivatives and Their Uses CNR2, CNR1, TRPV1 ALDH1A1 575/4885LMNA 3355/4885POLB 3957/4885

“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.