SCHEMBL4464874

SCHEMBL4464874

Cc1ccc(C(=O)Cc2ccc(Br)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
GSK3B P49841 3/20 0.55
POLB P06746 1/20 0.54
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 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
SCHEMBL29756305 1.00 NPC1 (0.69) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL29985867 0.90 GSK3B (0.61) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL8584136 0.90 GSK3B (0.61) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL5218244 0.90 NPC1 (0.81) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL13959588 0.85 ALDH1A1 (0.52) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL8044783 0.83 NPC1 (0.68) NPC1RAB9AL3MBTL1GSK3BPOLB
SCHEMBL28629860 0.83 NPC1 (0.71) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL12637601 0.83 NPC1 (0.71) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL7854876 0.83 NPC1 (0.68) NPC1RAB9AL3MBTL1GSK3BPOLB
SCHEMBL19934276 0.83 NPC1 (0.71) NPC1RAB9AL3MBTL1KMT2AMEN1

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 NPC1 3688/4885RAB9A 2016/4885L3MBTL1 1022/4885

“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.