SCHEMBL6284490

SCHEMBL6284490

C=CCC(OC(=O)c1ccccc1-c1ccccc1C(=O)OC(CC=C)C(=C)C)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
NPC1 O15118 1/20 0.38
CYP2C19 P33261 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A3 Q01959 3/20 0.35
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
SLC6A4 P31645 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL6284493 0.95 MAPK1 (0.39) CYP3A4SCN1ASCN2ASCN3ANPC1
SCHEMBL6278575 0.93 CYP3A4 (0.47) CYP3A4NPC1CYP2C19TSHRALDH1A1
SCHEMBL6278576 0.87 ALDH1A1 (0.45) CYP3A4CYP2C19TSHRALDH1A1HSD17B10
SCHEMBL6278573 0.80 CA12 (0.40) CYP2C19TSHRALDH1A1SLC6A3ADRB2
SCHEMBL6281232 0.78 SMN1; SMN2 (0.38) CYP3A4NPC1CYP2C19TSHRALDH1A1
SCHEMBL6284505 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL6278574 0.75 ALDH1A1 (0.40) CYP2C19TSHRALDH1A1SLC6A3KMT2A
SCHEMBL6281238 0.74 LMNA (0.38) NPC1KMT2AKDM4ESMN1; SMN2
SCHEMBL11026389 0.73
SCHEMBL6284511 0.72 LMNA (0.45) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846900-B2 POLYVALENT CARBOXYLIC ACID ESTER, PROCESS FOR PRODUCING THE CARBOXYLIC ACID ESTER, PLASTIC LENS COMPOSITION USING THE CARBOXYLIC ESTER, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K.K. (JP) 2005-01-25 US disclosed
US-20030208019-A1 Plastic lens composition, plastic lens, and process for producing the plastic lens SHOWA DENKO K.K. (JP) 2003-11-06 US disclosed
US-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions SHOW A DENKO K.K. (JP) 2003-07-31 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-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions VCL, VIM, CRYAA CYP3A4 1715/4885SCN1A 3344/4885SCN2A 3627/4885

“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.