SCHEMBL2556929

SCHEMBL2556929

C=CCc1ccnc(CC=C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.45
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
CNR2 P34972 3/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CNR1 P21554 2/20 0.44
ALDH2 P05091 1/20 0.44
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARA Q07869 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL29338615 0.86 LOXL2 (0.50) XDH
SCHEMBL859582 0.83 XDH (0.45) XDHMAPTALDH1A1GAAMEN1
SCHEMBL9301260 0.83 GABRA1 (0.39) XDHMAPTALDH1A1GAAMEN1
SCHEMBL15689576 0.79 RECQL (0.57) XDHMAPTALDH1A1GAAMEN1
SCHEMBL18759790 0.79 XDH (0.42) XDHMAPTALDH1A1GAAMEN1
SCHEMBL23139999 0.79 UHRF1 (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL324742 0.79 ALDH1A1 (0.33) XDHALDH1A1TP53TSHR
SCHEMBL3408217 0.79 ASIC3 (0.37) XDHMAPTALDH1A1MEN1KMT2A
SCHEMBL2359581 0.79 XDH (0.31) XDH
SCHEMBL629846 0.79 XDH (0.38) XDHMAPTALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104984-B1 VINYLCARBAMIC ACID ESTERS AND THEIR PREPARATION SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-05-16 EP claimed
US-4772695-A DEHYDROHALOGENATION, INSECTICIDES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1988-09-20 US claimed
EP-0104984-A2 Vinylcarbamic acid esters and their preparation SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1984-04-04 EP claimed
US-10781525-B2 Aluminum trihalide-neutral ligand ionic liquids and their use in aluminum deposition UT-BATTELLE, LLC (US) 2020-09-22 US disclosed
US-20190106799-A1 ALUMINUM TRIHALIDE-NEUTRAL LIGAND IONIC LIQUIDS AND THEIR USE IN ALUMINUM DEPOSITION UT-BATTELLE, LLC (US) 2019-04-11 US disclosed
US-10208391-B2 Aluminum trihalide-neutral ligand ionic liquids and their use in aluminum deposition UT-BATTELLE, LLC (US) 2019-02-19 US disclosed
US-20160108534-A1 ALUMINUM DEPOSITION DEVICES AND THEIR USE IN SPOT ELECTROPLATING OF ALUMINUM UNIVERSITY OF MISSISSIPPI 2016-04-21 US disclosed
US-20160108533-A1 ALUMINUM TRIHALIDE-NEUTRAL LIGAND IONIC LIQUIDS AND THEIR USE IN ALUMINUM DEPOSITION UT-BATTELLE, LLC 2016-04-21 US disclosed
US-8652452-B2 2,4-disubstituted pyridines as perfuming ingredients FIRMENICH SA (CH) 2014-02-18 US disclosed
US-8652452-B2 2,4-disubstituted pyridines as perfuming ingredients FIRMENICH SA (CH) 2014-02-18 US disclosed
EP-2552395-B1 2,4-disubstituted pyridines as perfuming ingredients FIRMENICH & CIE (CH) 2013-11-13 EP disclosed
EP-2552395-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2013-02-06 EP disclosed
EP-2552395-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2013-02-06 EP disclosed
US-20130004447-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2013-01-03 US disclosed
US-20130004447-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2013-01-03 US disclosed
CN-102802600-A 2, 4-disubstituted pyridines as perfuming ingredients FIRMENICH & CIE 2012-11-28 CN disclosed
WO-2011121469-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-10-06 WO disclosed
WO-2011121469-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-10-06 WO disclosed
US-20060052532-A1 Swellable, easily cross-linked, essentially linear polymers, and the use of the same in solid phase synthesis FORSCHUNGSVERBUND BERLIN E.V. (DE) 2006-03-09 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 (1 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-20130004447-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS P2RX5, P2RX4, C5 XDH 640/4885MAPT 3825/4885ALDH1A1 813/4885

“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.