SCHEMBL3920904

SCHEMBL3920904

O=C/C=C/CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.47
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAOA P21397 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 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
SCHEMBL3920906 1.00 SIGMAR1 (0.47) SIGMAR1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL10454474 0.89 SIGMAR1 (0.41) SIGMAR1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL2242691 0.88 GPR52 (0.52) GPR52
SCHEMBL2242689 0.88 GPR52 (0.52) GPR52
SCHEMBL27637213 0.83 KCNH2 (0.47) SIGMAR1
SCHEMBL27553647 0.81 KCNH2 (0.50) SIGMAR1
SCHEMBL27665858 0.81 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11197172 0.81 CYP2A6 (0.41) GPR52
Phenylethyl Alcohol SCHEMBL27980778 0.80 TDP1 (0.48) SIGMAR1HDAC3SMN1; SMN2
SCHEMBL95321 0.79 HDAC3 (0.47) SIGMAR1HDAC3MAPK1ADRA1AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888502-B1 CATALYTIC SCRIABINE REACTION FIRMENICH & CIE (CH) 2016-07-13 EP disclosed
US-7524983-B2 Catalytic scriabine reaction FIRMENICH SA (CH) 2009-04-28 US disclosed
US-20080091042-A1 CATALYTIC SCRIABINE REACTION FIRMENICH SA (CH) 2008-04-17 US disclosed
EP-1888502-A2 CATALYTIC SCRIABINE REACTION FIRMENICH SA (CH) 2008-02-20 EP disclosed
WO-2006120639-A2 CATALYTIC SCRIABINE REACTION FIRMENICH SA (CH) 2006-11-16 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 (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-20080091042-A1 CATALYTIC SCRIABINE REACTION AMY1A, MAN2B2, SLC5A1 SIGMAR1 438/4885HDAC3 283/4885MAPK1 212/4885

“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.