SCHEMBL4468568

SCHEMBL4468568

COc1cc[c]c(-c2ccc(Br)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
MAOB P27338 2/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL459934 0.87 CA12 (0.44) HPGDRAB9AMAOBLMNAKDM4E
SCHEMBL5622659 0.84 ACHE (0.45) MEN1KMT2ANPSR1HPGDRAB9A
SCHEMBL3262111 0.82 ESR2 (0.52) MEN1KMT2AHPGDRAB9AKDM4E
SCHEMBL8327622 0.82 MAOB (0.43) MEN1KMT2ANPSR1HPGDRAB9A
SCHEMBL11205461 0.82 APP (0.39) RAB9AMAOBTP53SMN1; SMN2MAPK1
SCHEMBL6841236 0.82 MEN1 (0.38) MEN1KMT2ANPSR1HPGDRAB9A
SCHEMBL11357189 0.82 GABRP (0.42) MEN1KMT2ANPSR1RAB9ALMNA
SCHEMBL10918406 0.82 CYP11B1 (0.44) MEN1KMT2ANPSR1RAB9ALMNA
SCHEMBL7033071 0.81 CA4 (0.43) MEN1KMT2AHPGDRAB9AKDM4E
SCHEMBL7101700 0.81 MAOB (0.42) MEN1KMT2AHPGDRAB9AMAOB

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-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US disclosed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US disclosed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 EP disclosed
EP-1675813-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES Applied Research Systems ARS Holding N.V. (NL) 2006-07-05 EP disclosed
WO-2005037758-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-04-28 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 (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-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes TNNC1, CPT1B, MUSK MEN1 2106/4885KMT2A 3190/4885NPSR1 2158/4885

“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.