SCHEMBL6284493

SCHEMBL6284493

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MYC P01106 1/20 0.36
CYP2C19 P33261 1/20 0.36
FOLH1 Q04609 2/20 0.36
PTPN11 Q06124 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6284490 0.95 CYP3A4 (0.41) SCN1ASCN2ASCN3APPARGPPARA
SCHEMBL6278576 0.91 ALDH1A1 (0.45) PPARGPPARAALDH1A1CYP3A4CYP2C9
SCHEMBL6278575 0.88 CYP3A4 (0.47) MAPK1ALDH1A1CYP3A4KDM4ELMNA
SCHEMBL6278574 0.77 ALDH1A1 (0.40) MAPK1ALDH1A1CYP2C19TDP1L3MBTL1
SCHEMBL6278573 0.76 CA12 (0.40) ALDH1A1KDM4ECYP2C19ALOX12L3MBTL1
SCHEMBL6281238 0.75 LMNA (0.38) KDM4ELMNAFOLH1NPC1HTT
SCHEMBL6281232 0.74 SMN1; SMN2 (0.38) ALDH1A1CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL6284511 0.73 LMNA (0.45) ALDH1A1LMNAPTPN11TDP1
SCHEMBL16698016 0.73 NPC1 (0.59) MAPK1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL2597548 0.72 SCN1A (0.40) MAPK1SCN1ASCN2ASCN3AALDH1A1

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 MAPK1 3540/4885SCN1A 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.