SCHEMBL2444598

SCHEMBL2444598

CCC(=O)C(C)(C)Cc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BLM P54132 1/20 0.37
MAPT P10636 1/20 0.37
CTBP2 P56545 1/20 0.37
SRD5A2 P31213 1/20 0.37
GHSR Q92847 1/20 0.37
ESR1 P03372 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 1/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL8169646 0.83 SLC6A4 (0.50) HPGDMAPTCYP3A4L3MBTL1ALDH1A1
SCHEMBL8951998 0.80 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2BLM
SCHEMBL12659250 0.80 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2BLM
SCHEMBL4457891 0.80 BLM (0.47) HPGDNPC1RAB9ASMN1; SMN2BLM
SCHEMBL13170332 0.78 MMP8 (0.49) HPGDSMN1; SMN2MAPTCYP3A4ALDH1A1
SCHEMBL7263478 0.76 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2BLM
SCHEMBL11530777 0.76 HPGD (0.45) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3363732 0.75 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2BLM
SCHEMBL13307837 0.75 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2BLM
SCHEMBL2437285 0.75 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems 2011-12-28 CN claimed
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-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US 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-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 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
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 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.