SCHEMBL63131

SCHEMBL63131

CC(C)=CCCC(C)(OC(=O)CCCc1ccccc1)C1CC=C(C)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.67
ALOX15 P16050 2/20 0.67
LMNA P02545 2/20 0.67
STAT3 P40763 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
CHRNA7 P36544 1/20 0.51
PTPN1 P18031 1/20 0.51
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
TRPV1 Q8NER1 1/20 0.38
AKR1C4 P17516 1/20 0.35
MCL1 Q07820 5/20 0.34
BCL2L1 Q07817 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
BCL2 P10415 2/20 0.34
ALOX5 P09917 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
Bisabolol Acetate SCHEMBL4279285 0.81 LMNA (1.00) CYP3A4ALOX15LMNASTAT3MEN1
SCHEMBL2075196 0.78 CYP3A4 (0.41) CYP3A4ALOX15LMNASTAT3MEN1
SCHEMBL3053446 0.74 ALOX15 (0.74) CYP3A4ALOX15LMNASTAT3MEN1
SCHEMBL19723149 0.72 LMNA (0.74) CYP3A4ALOX15LMNASTAT3MEN1
SCHEMBL8510625 0.72 LMNA (0.70) CYP3A4ALOX15LMNASTAT3MEN1
Levomenol SCHEMBL28249420 0.72 CYP3A4 (0.64) CYP3A4ALOX15LMNASTAT3MEN1
Linalool SCHEMBL2931642 0.69 ALOX15 (0.44) CYP3A4ALOX15LMNASTAT3MEN1
Levomenol SCHEMBL20838984 0.69 ALOX15 (1.00) CYP3A4ALOX15LMNASTAT3MEN1
Levomenol SCHEMBL24989 0.69 ALOX15 (1.00) CYP3A4ALOX15LMNASTAT3MEN1
Levomenol SCHEMBL14515491 0.69 ALOX15 (1.00) CYP3A4ALOX15LMNASTAT3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 EP claimed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US claimed
EP-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 EP disclosed
EP-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 EP disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 US disclosed
US-7906496-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2011-03-15 US disclosed
US-7906496-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2011-03-15 US disclosed
US-7906496-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2011-03-15 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US disclosed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 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 (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-20090258887-A1 Novel Carboxylic Acid Derivatives AADAC, ALDH7A1, DDC CYP3A4 753/4885ALOX15 288/4885LMNA 3280/4885
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES AADAC, ALDH7A1, ALDH18A1 CYP3A4 740/4885ALOX15 368/4885LMNA 3255/4885

“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.