SCHEMBL5507895

SCHEMBL5507895

C/C(=C\C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL5507898 1.00 KDM4E (0.34) KDM4EATMTSHRALDH1A1NR4A1
SCHEMBL10824467 0.80 ALDH1A1 (0.45) KDM4EATMTSHRALDH1A1NR4A1
SCHEMBL10824464 0.80 ALDH1A1 (0.45) KDM4EATMTSHRALDH1A1NR4A1
SCHEMBL11162927 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL11162924 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1535991 0.77 MAPK1 (0.34) KDM4ETSHRALDH1A1MAPT
SCHEMBL1535989 0.77 MAPK1 (0.34) KDM4ETSHRALDH1A1MAPT
SCHEMBL14667919 0.76
SCHEMBL936907 0.74 NR4A1 (0.41) KDM4EATMNR4A1NR4A2NR4A3
SCHEMBL20939073 0.74 LMNA (0.37) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4774342-A ANTITUMOR AGENTS SUNTORY LIMITED (JP) 1988-09-27 US claimed
EP-0108645-B1 NOVEL AILANTHONE DERIVATIVE SUNTORY LIMITED (JP) 1987-05-13 EP claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10322995-B2 Substituted cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes as active substances against abiotic plant stress BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-18 US disclosed
US-20170210701-A1 SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
EP-2697193-B1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER IP GMBH (DE) 2016-07-06 EP disclosed
WO-2016012362-A1 SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
US-9185914-B2 Substituted 5-(cyclohex-2-en-1-yl)-penta-2,4-dienes and 5-(cyclohex-2-en-1-yl)-pent-2-en-4-ines as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20140087949-A1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-20140051577-A1 SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESSES IN PLANTS FRACKENPOHL JENS (DE) 2014-02-20 US 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 (5 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-20170210701-A1 SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES CBR3, NPY2R, CBR1 KDM4E 1447/4885ATM 3194/4885TSHR 2831/4885
US-20140087949-A1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS ECH1, ENY2, CYCS KDM4E 1119/4885ATM 3933/4885TSHR 2215/4885
US-20140051577-A1 SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESSES IN PLANTS RER1, ECH1, CYCS KDM4E 1419/4885ATM 3794/4885TSHR 3109/4885
US-20060178278-A1 Process for Preparing an Overbased Detergent DEGS1, ADH1C, CYP26B1 KDM4E 777/4885ATM 3317/4885TSHR 4354/4885
US-10322995-B2 Substituted cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes as active substances against abiotic plant stress NPY2R, NPY1R, XPA KDM4E 1934/4885ATM 2959/4885TSHR 2023/4885

“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.