SCHEMBL2444705

SCHEMBL2444705

CCC(=O)C(C)(C)Cc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.43
NR3C2 P08235 1/20 0.42
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CTBP2 P56545 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
SHBG P04278 1/20 0.39
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
MAOB P27338 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
RIPK1 Q13546 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8936110 0.83 SSTR4 (0.46) SSTR4NR3C2HPGDALDH1A1CTBP2
SCHEMBL28084303 0.81 NR3C2 (0.50) SSTR4NR3C2HPGDALDH1A1CTBP2
SCHEMBL4458475 0.81 KDM4E (0.51) SSTR4NR3C2HPGDALDH1A1CTBP2
SCHEMBL2441619 0.81 SSTR4 (0.44) SSTR4NR3C2HPGDALDH1A1CTBP2
SCHEMBL3958354 0.79 CYP1A2 (0.45) SSTR4NR3C2HPGDALDH1A1CTBP2
SCHEMBL17106300 0.77 LMNA (0.46) SSTR4NR3C2HPGDALDH1A1CTBP2
SCHEMBL2445560 0.77 SSTR4 (0.39) SSTR4NR3C2HPGDALDH1A1CTBP2
SCHEMBL28346031 0.73 NR3C2 (0.43) SSTR4NR3C2HPGDALDH1A1CTBP2
SCHEMBL808983 0.72 TAAR1 (0.45) SSTR4NR3C2HPGDALDH1A1CTBP2
SCHEMBL13722854 0.72 TAAR1 (0.45) SSTR4NR3C2HPGDALDH1A1CTBP2

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 SSTR4 2498/4885NR3C2 4502/4885HPGD 400/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 SSTR4 2498/4885NR3C2 4502/4885HPGD 400/4885

“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.