SCHEMBL4458305

SCHEMBL4458305

CCCCc1cc[c]c(-c2ccc(Br)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SKP2 Q13309 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD11B1 P28845 1/20 0.35
EIF4A1 P60842 2/20 0.34
RARB P10826 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA3 P0DMS8 4/20 0.34

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
SCHEMBL2722607 0.86 HSD11B1 (0.44) RAB9ASMN1; SMN2GAAHPGDHSD11B1
SCHEMBL1368971 0.84 HSD11B1 (0.46) NPC1RAB9AMAPK1SKP2HPGD
SCHEMBL4463655 0.83 MAPT (0.32) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL15066937 0.83 SKP2 (0.44) NPC1RAB9ASMN1; SMN2MAPK1SKP2
SCHEMBL4949879 0.83 HSD17B10 (0.47) RAB9ASMN1; SMN2GAAHPGDHSD11B1
SCHEMBL6503114 0.82 KCNH2 (0.36) NPC1RAB9ASMN1; SMN2MAPK1SKP2
SCHEMBL10454826 0.82 UCHL3 (0.46) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL27699506 0.81 SMN1; SMN2 (0.43) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL6493292 0.78 CNR1 (0.40) NPC1RAB9ASMN1; SMN2NPSR1HSD11B1
SCHEMBL1936798 0.78 HSD11B1 (0.47) HSD11B1

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 2016/4885NFKB1 1878/4885

“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.