SCHEMBL2437519

SCHEMBL2437519

Cc1ccc(C(=O)CC2CCCCC2)cc1.Cc1ccc(C(=O)CC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
MMP13 P45452 1/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GSK3B P49841 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.47
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL2439507 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL507518 0.98 NPC1 (0.51) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL5460106 0.91 GSK3B (0.53) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL6692054 0.84 PDE4A (0.52) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL2439424 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL12572520 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL14784803 0.82 DRD2 (0.63) NPC1RAB9ASMN1; SMN2PDE4APDE4B
SCHEMBL29171625 0.82 NPC1 (0.56) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL1278317 0.81 EPHX2 (0.57) NPC1RAB9ASMN1; SMN2HPGDPDE4A
SCHEMBL28595923 0.81 EPHX2 (0.57) NPC1RAB9ASMN1; SMN2HPGDPDE4A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed
EP-2362765-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2020-04-08 EP disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 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 (2 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-20130012422-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 NPC1 1191/4885RAB9A 3931/4885SMN1; SMN2 2821/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 NPC1 1191/4885RAB9A 3931/4885SMN1; SMN2 2821/4885

“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.