SCHEMBL4146952

SCHEMBL4146952

Cc1cc(C(=O)N2CCCCC2)c(C)o1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.73
ALDH1A1 P00352 7/20 0.66
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PKM P14618 2/20 0.61
LMNA P02545 3/20 0.57
TSHR P16473 1/20 0.57
MAPT P10636 4/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 1/20 0.56
HPGD P15428 3/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2C19 P33261 1/20 0.53
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.49
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48

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
SCHEMBL15880566 0.85 HTT (1.00) HTTALDH1A1MEN1KMT2APKM
SCHEMBL2404535 0.73 HTT (0.56) HTTALDH1A1MEN1KMT2APKM
SCHEMBL13753563 0.73 ALDH1A1 (0.55) HTTALDH1A1MEN1KMT2APKM
Nerbacadol SCHEMBL2109466 0.71 CHRNA4 (0.56) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL13545600 0.70 RAB9A (0.57) HTTALDH1A1LMNATSHRHPGD
SCHEMBL24715834 0.70 ALDH1A1 (0.56) HTTALDH1A1MEN1KMT2APKM
SCHEMBL11202444 0.70 HPGD (0.54) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL15306495 0.69 HPGD (0.57) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL24016907 0.69 KMT2A (0.60) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL4164480 0.69 HPGD (0.53) HTTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 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 (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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R HTT 4858/4885ALDH1A1 1465/4885MEN1 3261/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R HTT 4858/4885ALDH1A1 1465/4885MEN1 3261/4885

“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.