SCHEMBL4258332

SCHEMBL4258332

Cc1cc(C=Cc2ccccc2)cc2c1OCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
BRD4 O60885 2/20 0.45
CREBBP Q92793 2/20 0.45
HTT P42858 1/20 0.43
TTR P02766 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
NR3C2 P08235 3/20 0.42
PGR P06401 2/20 0.42
NR3C1 P04150 1/20 0.42
TP53 P04637 1/20 0.41
MMP12 P39900 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 2/20 0.40

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
SCHEMBL13932133 1.00 ALDH1A1 (0.47) ALDH1A1LMNABRD4CREBBPHTT
SCHEMBL13932073 0.87 NR3C2 (0.43) ALDH1A1LMNAHTTTTRALOX5
SCHEMBL4266640 0.87 NR3C2 (0.43) ALDH1A1LMNAHTTTTRALOX5
SCHEMBL13932124 0.85 PTGS1 (0.50) ALDH1A1LMNACREBBPALOX5PTGS1
SCHEMBL4263486 0.85 PTGS1 (0.50) ALDH1A1LMNACREBBPALOX5PTGS1
SCHEMBL13932071 0.84 PTGS1 (0.53) BRD4CREBBPALOX5PTGS1PTGS2
SCHEMBL4261365 0.84 PTGS1 (0.53) BRD4CREBBPALOX5PTGS1PTGS2
SCHEMBL13952948 0.84 NR3C2 (0.37) ALDH1A1LMNABRD4CREBBPHTT
SCHEMBL4267822 0.84 NR3C2 (0.47) ALDH1A1LMNABRD4CREBBPMAOB
SCHEMBL13932130 0.84 NR3C2 (0.47) ALDH1A1LMNABRD4CREBBPMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 ALDH1A1 3483/4885LMNA 1353/4885BRD4 547/4885

“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.