SCHEMBL3686385

SCHEMBL3686385

CC(C=O)=Cc1ccc(C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 1/20 0.59
TYR P14679 3/20 0.57
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 1/20 0.44
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41

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
SCHEMBL3686386 1.00 ALDH1A1 (0.59) ALDH1A1TSHRTYRKDM4EMAPK1
SCHEMBL11478074 0.85 ALDH1A1 (0.55) ALDH1A1TSHRTYRKDM4EMAPK1
SCHEMBL11478075 0.85 ALDH1A1 (0.55) ALDH1A1TSHRTYRKDM4EMAPK1
SCHEMBL31380631 0.83 TYR (0.52) ALDH1A1TSHRTYRKDM4EMAPK1
SCHEMBL31380633 0.83 TYR (0.52) ALDH1A1TSHRTYRKDM4EMAPK1
SCHEMBL31380610 0.83 TYR (0.52) ALDH1A1TSHRTYRKDM4EMAPK1
SCHEMBL31380603 0.83 TYR (0.52) ALDH1A1TSHRTYRKDM4EMAPK1
SCHEMBL28221244 0.82 ALDH1A1 (0.57) ALDH1A1TSHRTYRKDM4EMAPK1
SCHEMBL19554075 0.82 TSHR (0.52) ALDH1A1TSHRTYRKDM4EMAPK1
SCHEMBL4087610 0.79 ALDH1A1 (0.63) ALDH1A1TSHRMAPTRAB9ALMNA

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-1957437-B1 PROCESS FOR PRODUCING ALPHA,BETA-UNSATURATED ALDEHYDE COMPOUNDS KAO CORP (JP) 2017-05-03 EP disclosed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-7732644-B2 Process for producing α,β-unsaturated aldehyde compounds KAO CORPORATION (JP) 2010-06-08 US disclosed
US-20090171124-A1 PROCESS FOR PRODUCING ALPHA, BETA-UNSATURATED ALDEHYDE COMPOUNDS KAO CORPORATION (JP) 2009-07-02 US disclosed
EP-1957437-A1 PROCESS FOR PRODUCING ALPHA,BETA-UNSATURATED ALDEHYDE COMPOUNDS Kao Corporation (JP) 2008-08-20 EP disclosed
WO-2007063703-A1 PROCESS FOR PRODUCING α,β-UNSATURATED ALDEHYDE COMPOUNDS KAO CORPORATION (JP) 2007-06-07 WO disclosed
EP-0185872-B1 1-PHENYL-2-METHYL-3-HYDROXY-(3-ACYLOXY)-ALKYL COMPOUNDS AND THEIR USE AS PERFUMES BASF Aktiengesellschaft (DE) 1990-02-07 EP disclosed
EP-0185872-A1 1-Phenyl-2-methyl-3-hydroxy-(3-acyloxy)-alkyl compounds and their use as perfumes BASF Aktiengesellschaft (DE) 1986-07-02 EP disclosed
EP-0017893-B1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC TERTIARY ARALKYL AMINES BASF Aktiengesellschaft (DE) 1982-03-24 EP disclosed
US-4318831-A Polysubstituted cyclopentene derivatives DRAGOCO GERBERDING & CO GMBH (DE) 1982-03-09 US disclosed
US-4283534-A Reductive alkylation of nitrogen heterocycles BASF AKTIENGESELLSCHAFT (DE) 1981-08-11 US disclosed
US-4273945-A HYDROGENATION OF UNSATURATED ALDEHYDES BASF AKTIENGESELLSCHAFT (DE) 1981-06-16 US disclosed
EP-0017893-A1 Process for the preparation of heterocyclic tertiary aralkyl amines BASF Aktiengesellschaft (DE) 1980-10-29 EP disclosed
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 US 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-20090171124-A1 PROCESS FOR PRODUCING ALPHA, BETA-UNSATURATED ALDEHYDE COMPOUNDS ADH1C, ADH1A, ADH5 ALDH1A1 5/4885TSHR 4189/4885TYR 4555/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 ALDH1A1 61/4885TSHR 4820/4885TYR 1740/4885

“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.