SCHEMBL584901

SCHEMBL584901

CCC(c1ccccc1)C(C)(C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.58
CYP2C9 P11712 1/20 0.58
LMNA P02545 5/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
RIPK1 Q13546 2/20 0.41
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL10603146 0.84 HSD17B10 (0.43) HSD17B10CYP2C9LMNAMEN1KMT2A
SCHEMBL28351865 0.83 LMNA (0.44) HSD17B10CYP2C9LMNAMEN1KMT2A
SCHEMBL9468344 0.83 MAPT (0.49) HSD17B10CYP2C9LMNAPOLBRIPK1
SCHEMBL12504412 0.82 HSD17B10 (0.42) HSD17B10CYP2C9LMNAMEN1KMT2A
SCHEMBL27594813 0.81 RIPK1 (0.43) HSD17B10CYP2C9LMNAMEN1KMT2A
SCHEMBL5425825 0.81 LMNA (0.42) HSD17B10CYP2C9LMNAMEN1KMT2A
SCHEMBL27694316 0.80 CYP2C9 (0.40) HSD17B10CYP2C9KMT2ARIPK1OPRK1
SCHEMBL12802502 0.80 CYP2C9 (0.57) HSD17B10CYP2C9LMNATDP1L3MBTL1
SCHEMBL5916381 0.79 LMNA (0.44) HSD17B10CYP2C9LMNAMEN1KMT2A
SCHEMBL14268372 0.79 MEN1 (0.41) HSD17B10CYP2C9LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP claimed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP claimed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO claimed
EP-1029032-B1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2004-03-03 EP claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 HSD17B10 2887/4885CYP2C9 1934/4885LMNA 1820/4885

“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.