SCHEMBL404920

SCHEMBL404920

CCOC(=O)C(=O)c1c[nH]c2ccc(C)cc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
RAB9A P51151 1/20 0.61
NR4A2 P43354 1/20 0.61
ALDH1A1 P00352 1/20 0.58
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.53
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
GABRB1 P18505 1/20 0.49
GABRA3 P34903 1/20 0.49

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
SCHEMBL404854 0.86 NR4A2 (0.60) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL1994694 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EGABRA1GABRB2CDK4
SCHEMBL1993247 0.86 GABRA1 (0.67) NR4A2GABRA1GABRB2GABRB1GABRA3
SCHEMBL6030284 0.85 NR4A2 (0.73) LMNARAB9ANR4A2ALDH1A1KDM4E
SCHEMBL830179 0.85 NR4A2 (0.73) LMNARAB9ANR4A2ALDH1A1KDM4E
SCHEMBL13727294 0.85 LMNA (0.64) LMNARAB9ANR4A2ALDH1A1KDM4E
SCHEMBL462496 0.83 NPSR1 (0.47) ALDH1A1HSD17B10GABRA1GABRB2GABRB1
SCHEMBL368012 0.82 GABRA1 (0.58) LMNANR4A2ALDH1A1GABRA1GABRB2
SCHEMBL29790938 0.82 GABRA1 (0.58) LMNANR4A2ALDH1A1GABRA1GABRB2
SCHEMBL4061163 0.80 GABRA1 (0.51) GABRA1GABRB2GABRB1GABRA3

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885RAB9A 1530/4885NR4A2 755/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885RAB9A 1530/4885NR4A2 755/4885

“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.