SCHEMBL291583

SCHEMBL291583

CC(=CC(=O)O)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM1A O60341 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
CA2 P00918 1/20 0.39
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
KISS1R Q969F8 2/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL27474236 1.00 ALDH1A1 (0.48) ALDH1A1TDP1KDM1AKDM4EATM
SCHEMBL291582 1.00 ALDH1A1 (0.48) ALDH1A1TDP1KDM1AKDM4EATM
SCHEMBL1194994 0.83 KDM4E (0.43) ALDH1A1TDP1KDM1AKDM4EATM
SCHEMBL28538742 0.83 KDM4E (0.43) ALDH1A1TDP1KDM1AKDM4EATM
SCHEMBL2171776 0.82 KDM1A (0.42) ALDH1A1TDP1KDM1AKDM4EATM
SCHEMBL15978312 0.82 ALDH1A1 (0.50) ALDH1A1TDP1KDM1ACA2CACNA2D1
SCHEMBL11511816 0.80 ALDH1A1 (0.48) ALDH1A1TDP1KDM1ACA2CACNA2D1
SCHEMBL11511817 0.80 ALDH1A1 (0.48) ALDH1A1TDP1KDM1ACA2CACNA2D1
SCHEMBL15482735 0.78 KDM4E (0.43) KDM1AKDM4EATM
3-Methylbutanoic Acid SCHEMBL7036541 0.78 KDM1A (0.46) ALDH1A1TDP1KDM1AKDM4EATM

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
US-8153848-B2 Homoallyl alcohols useful as fragrances GIVAUDAN SA (CH) 2012-04-10 US disclosed
EP-2220019-B1 HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES GIVAUDAN SA (CH) 2012-03-14 EP disclosed
US-20110130470-A1 Homoallyl Alcohols Useful as Fragrances GIVAUDAN SA (CH) 2011-06-02 US disclosed
EP-2220019-A1 HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES Givaudan SA (CH) 2010-08-25 EP disclosed
WO-2009065244-A1 HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES GIVAUDAN SA (CH) 2009-05-28 WO disclosed
US-7238651-B2 Process for preparing an overbased detergent THE LUBRIZOL CORPORATION (US) 2007-07-03 US disclosed
EP-1694802-A1 PROCESS FOR PREPARING AN OVERBASED DETERGENT The Lubrizol Corporation (US) 2006-08-30 EP disclosed
US-20060178278-A1 Process for Preparing an Overbased Detergent THE LUBRIZOL CORPORATION (US) 2006-08-10 US disclosed
WO-2005042677-A1 PROCESS FOR PREPARING AN OVERBASED DETERGENT THE LUBRIZOL CORPORATION (US) 2005-05-12 WO disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed
US-4774342-A ANTITUMOR AGENTS SUNTORY LIMITED (JP) 1988-09-27 US disclosed
EP-0108645-B1 NOVEL AILANTHONE DERIVATIVE SUNTORY LIMITED (JP) 1987-05-13 EP disclosed
EP-0108645-A2 Novel ailanthone derivative SUNTORY LIMITED (JP) 1984-05-16 EP 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-20110130470-A1 Homoallyl Alcohols Useful as Fragrances ADH5, HRH1, HRH3 ALDH1A1 184/4885TDP1 4479/4885KDM1A 2035/4885
US-20060178278-A1 Process for Preparing an Overbased Detergent DEGS1, ADH1C, CYP26B1 ALDH1A1 983/4885TDP1 1631/4885KDM1A 628/4885

“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.