SCHEMBL1990106

SCHEMBL1990106

Cc1cccc(C)c1-c1cc(Br)cc(-c2c(C)cccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
SRC P12931 2/20 0.41
MAOB P27338 2/20 0.41
IKBKB O14920 1/20 0.41
GRIA1 P42261 3/20 0.40
CACNG8 Q8WXS5 3/20 0.40
HTR7 P34969 1/20 0.39
MAOA P21397 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 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
SCHEMBL14907349 0.95 ALDH1A1 (0.41) ALDH1A1MAPK1SRCMAOBIKBKB
SCHEMBL23421117 0.87 GRIA1 (0.38) ALDH1A1MAPK1SRCMAOBIKBKB
SCHEMBL17495238 0.84 IKBKB (0.56) ALDH1A1MAPK1SRCMAOBIKBKB
SCHEMBL24027825 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1SRCMAOBIKBKB
SCHEMBL30213031 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1SRCMAOBIKBKB
SCHEMBL12565770 0.79 HTR7 (0.53) ALDH1A1SRCGRIA1CACNG8HTR7
SCHEMBL13312937 0.78 MAOA (0.47) ALDH1A1MAPK1SRCMAOBIKBKB
SCHEMBL20595546 0.78 RAPGEF4 (0.38) ALDH1A1MAPK1KDM4EMEN1NPC1
SCHEMBL29561382 0.76 MEN1 (0.48) ALDH1A1SRCGRIA1CACNG8HTR7
SCHEMBL20684759 0.75 ACHE (0.48) ALDH1A1SRCGRIA1CACNG8HTR7

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-8637710-B2 Catalyst for cross-coupling reaction comprising unsubstituted or substituted bisphosphinobenzenes KYOTO UNIVERSITY (JP) 2014-01-28 US disclosed
US-20110152523-A1 CATALYST FOR CROSS-COUPLING REACTION, AND PROCESS FOR PRODUCTION OF AROMATIC COMPOUND USING THE SAME KYOTO UNIVERSITY (JP) 2011-06-23 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-20110152523-A1 CATALYST FOR CROSS-COUPLING REACTION, AND PROCESS FOR PRODUCTION OF AROMATIC COMPOUND USING THE SAME AHR, AR, HRH2 ALDH1A1 2596/4885MAPK1 484/4885SRC 1828/4885

“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.