SCHEMBL2437285

SCHEMBL2437285

CC[C@@H](C)C(=O)C(C)(C)Cc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
ACE P12821 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACACB O00763 1/20 0.34
GHSR Q92847 1/20 0.34
ACHE P22303 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL3363732 1.00 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13307837 1.00 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7263478 0.84 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1698134 0.81 CTBP2 (0.39) HPGDMEN1KMT2A
SCHEMBL12032110 0.81 CTBP2 (0.39) HPGDMEN1KMT2A
SCHEMBL9985409 0.81 CTBP2 (0.39) HPGDMEN1KMT2A
SCHEMBL12659250 0.78 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2444598 0.75 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4457891 0.74 BLM (0.47) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8951998 0.74 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1

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 HPGD 400/4885NPC1 1191/4885RAB9A 3931/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 HPGD 400/4885NPC1 1191/4885RAB9A 3931/4885

“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.