SCHEMBL3233190

SCHEMBL3233190

Cc1cccc(C(C)CC=O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.41
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.39
AOC3 Q16853 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
CYP19A1 P11511 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9580067 0.88 HDAC4 (0.42) AOC3HDAC4HDAC2HDAC8TP53
SCHEMBL18316475 0.83 HDAC4 (0.43) HDAC4HDAC2HDAC8TP53MAPT
SCHEMBL29364274 0.83 HDAC4 (0.43) HDAC4HDAC2HDAC8TP53MAPT
SCHEMBL180401 0.83 HDAC4 (0.43) HDAC4HDAC2HDAC8TP53MAPT
SCHEMBL30987496 0.83 HDAC4 (0.43) HDAC4HDAC2HDAC8TP53MAPT
SCHEMBL27961266 0.80 ERN1 (0.35)
SCHEMBL5883541 0.80 ALDH1A1 (0.42) ACP3KMT2AAOC3HDAC4HDAC2
SCHEMBL22245030 0.80 HDAC4 (0.37) HDAC4HDAC2HDAC8TP53MAPT
SCHEMBL2793025 0.80 PARP1 (0.43) KMT2AHDAC4HDAC2HDAC8ALDH1A1
SCHEMBL2793022 0.80 PARP1 (0.43) KMT2AHDAC4HDAC2HDAC8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142343-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2014-05-22 US disclosed
US-20140142343-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2014-05-22 US disclosed
US-20140142343-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2014-05-22 US disclosed
US-8709994-B2 Fragrance compounds GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2014-04-29 US disclosed
EP-2077986-B1 NOVEL FRAGRANCE COMPOUNDS GIVAUDAN NEDERLAND SERVICES BV (NL) 2013-12-04 EP disclosed
EP-2657218-A1 Novel Fragrance Compounds Givaudan Nederland Services B.V. (NL) 2013-10-30 EP disclosed
EP-2657218-A1 Novel Fragrance Compounds Givaudan Nederland Services B.V. (NL) 2013-10-30 EP disclosed
US-20100069287-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2010-03-18 US disclosed
US-20100069287-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2010-03-18 US disclosed
US-20100069287-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2010-03-18 US disclosed
EP-2077986-A1 NOVEL FRAGRANCE COMPOUNDS Givaudan Nederland Services B.V. (NL) 2009-07-15 EP disclosed
WO-2008053148-A1 NOVEL FRAGRANCE COMPOUNDS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-05-08 WO disclosed
WO-2008053148-A1 NOVEL FRAGRANCE COMPOUNDS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-05-08 WO disclosed
CN-101068783-A Processes and intermediates for preparing cysteine protease inhibitors BAYER SCHERING PHARMA AG (DE) 2007-11-07 CN disclosed
CN-1809530-A Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARM INC (US) 2006-07-26 CN disclosed
CN-1048715-C 3-(3-methyl-phenyl)-butanal compound used as purfume DALIAN CHEMICAL PHYSICS INST (CN) 2000-01-26 CN disclosed
CN-1048715-C 3-(3-methyl-phenyl)-butanal compound used as purfume DALIAN CHEMICAL PHYSICS INST (CN) 2000-01-26 CN disclosed
CN-1130169-A 3-(3-methyl-phenyl)-butanal compound used as purfume DALIAN CHEMICAL PHYSICS INST (CN) 1996-09-04 CN disclosed
CN-1130169-A 3-(3-methyl-phenyl)-butanal compound used as purfume DALIAN CHEMICAL PHYSICS INST (CN) 1996-09-04 CN 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 (1 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-20100069287-A1 Novel Fragrance Compounds C1S, C5, FADS1 ACP3 4045/4885KMT2A 201/4885ACHE 86/4885

“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.