SCHEMBL5599265

SCHEMBL5599265

C/C(C=O)=C\C=C\c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 5/20 0.54
TRPA1 O75762 1/20 0.54
ALOX5 P09917 1/20 0.54
MAPK1 P28482 1/20 0.54
MAOB P27338 2/20 0.50
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MCL1 Q07820 1/20 0.45
CYP3A4 P08684 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL5599268 1.00 ALDH1A1 (0.59) ALDH1A1TSHRLMNATRPA1ALOX5
SCHEMBL8675295 0.82 GLA (0.55) ALDH1A1TSHRLMNATRPA1ALOX5
SCHEMBL6518363 0.80 MAOB (0.50) ALDH1A1TSHRLMNATRPA1ALOX5
SCHEMBL4471707 0.80 MAOB (0.50) ALDH1A1TSHRLMNATRPA1ALOX5
SCHEMBL570012 0.79 MAOB (0.59) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL6988234 0.78 KDM4E (0.50) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL6988236 0.78 KDM4E (0.50) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL11192501 0.77 MAOB (0.46) ALDH1A1TSHRLMNATRPA1ALOX5
SCHEMBL7799748 0.77 CYP1A2 (0.50) MAOBHDAC3HDAC1HDAC2HDAC10
SCHEMBL7799743 0.77 CYP1A2 (0.50) MAOBHDAC3HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072789-A1 2-Methyl-5-phenylpentanal used as a rose odoriferous substance SYMRISE GMBH & CO. KG (DE) 2007-03-29 US claimed
EP-1631247-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE Symrise GmbH & Co. KG (DE) 2006-03-08 EP claimed
WO-2004105724-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-12-09 WO claimed
EP-4294783-B1 HYDROGENATION OF DIENALS OR DIENONES WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE FIRMENICH & CIE (CH) 2025-10-15 EP disclosed
US-20240208891-A1 HYDROGENATION OF DIENALS OR DIENONES WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE FIRMENICH & CIE (CH) 2024-06-27 US disclosed
EP-4294783-A1 HYDROGENATION OF DIENALS OR DIENONES WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE Firmenich SA (CH) 2023-12-27 EP disclosed
WO-2022223363-A1 HYDROGENATION OF DIENALS OR DIENONES WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE FIRMENICH SA (CH) 2022-10-27 WO disclosed
EP-2678304-B1 HYDROGENATION OF DIENALS WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE FIRMENICH & CIE (CH) 2016-04-20 EP disclosed
EP-2678304-B1 HYDROGENATION OF DIENALS WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE FIRMENICH & CIE (CH) 2016-04-20 EP disclosed
US-8871982-B2 Hydrogenation of dienals with rhodium complexes under carbon monoxide free atmosphere FIRMENICH SA (CH) 2014-10-28 US disclosed
US-8871982-B2 Hydrogenation of dienals with rhodium complexes under carbon monoxide free atmosphere FIRMENICH SA (CH) 2014-10-28 US disclosed
US-8871982-B2 Hydrogenation of dienals with rhodium complexes under carbon monoxide free atmosphere FIRMENICH SA (CH) 2014-10-28 US disclosed
US-20130331611-A1 HYDROGENATION OF DIENALS WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE FIRMENICH SA (CH) 2013-12-12 US disclosed
WO-2012150053-A1 HYDROGENATION OF DIENALS WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE FIRMENICH SA (CH) 2012-11-08 WO disclosed
US-20070072789-A1 2-Methyl-5-phenylpentanal used as a rose odoriferous substance SYMRISE GMBH & CO. KG (DE) 2007-03-29 US disclosed
EP-1631247-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE Symrise GmbH & Co. KG (DE) 2006-03-08 EP disclosed
WO-2004105724-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-12-09 WO disclosed
EP-0071175-B1 PHENYLALKYLOXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-03-12 EP disclosed
EP-0071175-A2 Phenylalkyloxirane-carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-02-09 EP disclosed
WO-1983000334-A1 PHENYLALKYLOXIRANE CARBOXYLIC ACIDS, PREPARATION AND THERAPEUTICAL USE KOHL, BERNHARD 1983-02-03 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-20130331611-A1 HYDROGENATION OF DIENALS WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE HRH4, TPD52L2, DIS3 ALDH1A1 3269/4885TSHR 1726/4885LMNA 4184/4885
US-20240208891-A1 HYDROGENATION OF DIENALS OR DIENONES WITH RHODIUM COMPLEXES UNDER CARBON MONOXIDE FREE ATMOSPHERE ENO1, DECR1, CPNE4 ALDH1A1 2152/4885TSHR 1893/4885LMNA 3416/4885

“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.