SCHEMBL6281232

SCHEMBL6281232

C=CCC(OC(=O)c1cccc(C(=O)OC(CC=C)C(=C)C)c1)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
SLC7A5 Q01650 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CYP2C19 P33261 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 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
SCHEMBL6281238 0.95 LMNA (0.38) SMN1; SMN2MAPTRAB9ANPC1HTT
SCHEMBL6284505 0.94 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL6284511 0.90 LMNA (0.45) SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL6278573 0.88 CA12 (0.40) ALDH1A1ADRB2ADRB1ADRB3CYP2C19
SCHEMBL6278574 0.82 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MAPTHTTCYP2C19
SCHEMBL6278575 0.82 CYP3A4 (0.47) SMN1; SMN2ALDH1A1NPC1ADRB2ADRB1
SCHEMBL6284490 0.78 CYP3A4 (0.41) SMN1; SMN2ALDH1A1NPC1ADRB2ADRB1
SCHEMBL6278576 0.77 ALDH1A1 (0.45) ALDH1A1MAPTCYP2C19CYP3A4KMT2A
SCHEMBL6284493 0.74 MAPK1 (0.39) ALDH1A1NPC1HTTCYP2C19CYP3A4
SCHEMBL11026389 0.74

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-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
WO-2002079140-A1 NOVEL POLYVALENT CARBOXYLIC ACID ESTERS AND THEIR USE IN PLASTIC LENS COMPOSITIONS SHOWA DENKO K. K. (JP) 2002-10-10 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-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions VCL, VIM, CRYAA SMN1; SMN2 4503/4885ALDH1A1 1516/4885MAPT 143/4885

“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.