SCHEMBL12401893

SCHEMBL12401893

ClCc1ccc(CCCc2ccc(CCl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MAOB P27338 2/20 0.39
CALM1 P0DP23 1/20 0.38
SLC28A3 Q9HAS3 1/20 0.38
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
ESR1 P03372 3/20 0.36
GFER P55789 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
ESR2 Q92731 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL30965275 0.94 MAOB (0.44) HTR2ACA1CA2MAOBIGF1R
SCHEMBL9190069 0.88 CA1 (0.39) HTR2ACA1CA2MAOBIGF1R
SCHEMBL13658160 0.87 GFER (0.47) CA1CA2MAOBESR1GFER
SCHEMBL11674222 0.86 MAOB (0.39) HTR2ACA1CA2MAOBIGF1R
Methane SCHEMBL17138226 0.84 GFER (0.45) CA1CA2MAOBESR1GFER
SCHEMBL1006989 0.84 CA2 (0.54) HTR2ACA1CA2ESR1THRA
SCHEMBL12531821 0.84 MAOB (0.60) HTR2AMAOBIGF1RALOX15
SCHEMBL11202797 0.84 ESR1 (0.40) HTR2ACA1CA2MAOBIGF1R
SCHEMBL2326659 0.84 CA2 (0.50) CA1CA2IGF1RALOX15ESR1
SCHEMBL97582 0.83 CA1 (0.52) CA1CA2ESR1GFERESR2

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-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M HTR2A 3138/4885CA1 642/4885CA2 208/4885

“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.