SCHEMBL2442200

SCHEMBL2442200

CC(=O)C(C)(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.47
NR1H4 Q96RI1 5/20 0.47
ESRRG P62508 3/20 0.44
LMNA P02545 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SLC13A5 Q86YT5 2/20 0.42
NR4A2 P43354 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL9198566 0.85 MAOB (0.46) LMNAHDAC8NR4A2HDAC1
SCHEMBL8494644 0.84 SLC13A5 (0.50) EPHX2NR1H4ESRRGLMNACA1
SCHEMBL27832630 0.82 EPHX2 (0.45) EPHX2NR1H4ESRRGCA1CA2
SCHEMBL8951998 0.82 HPGD (0.44) LMNA
SCHEMBL5728540 0.80 CES2 (0.41) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL10383881 0.80 SLC6A4 (0.53) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL10767808 0.80 LMNA (0.42) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL9626513 0.80 RIPK1 (0.47) MEN1KMT2A
SCHEMBL18999227 0.79 CA1 (0.51) EPHX2NR1H4ESRRGLMNACA1
SCHEMBL6552350 0.79 SMN1; SMN2 (0.50) LMNACYP1A2CYP2C19

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 13 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-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 EPHX2 836/4885NR1H4 3022/4885ESRRG 3915/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 EPHX2 836/4885NR1H4 3022/4885ESRRG 3915/4885

“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.