SCHEMBL6278575

SCHEMBL6278575

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
TSHR P16473 7/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LIG1 P18858 1/20 0.34
PTGS2 P35354 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
KMT2A Q03164 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
SCHEMBL6278576 0.94 ALDH1A1 (0.45) CYP3A4TSHRALDH1A1CYP2C19HSD17B10
SCHEMBL6284490 0.93 CYP3A4 (0.41) CYP3A4TSHRALDH1A1CYP2C19HSD17B10
SCHEMBL6284493 0.88 MAPK1 (0.39) CYP3A4ALDH1A1CYP2C19HSD17B10TDP1
SCHEMBL6278573 0.84 CA12 (0.40) TSHRALDH1A1CYP2C19L3MBTL1TP53
SCHEMBL6281232 0.82 SMN1; SMN2 (0.38) CYP3A4TSHRALDH1A1CYP2C19TDP1
SCHEMBL6284505 0.80 ALDH1A1 (0.41) ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL6278574 0.79 ALDH1A1 (0.40) TSHRALDH1A1CYP2C19TDP1L3MBTL1
SCHEMBL6281238 0.77 LMNA (0.38) TP53LMNANPC1KDM4ESMN1; SMN2
SCHEMBL11026389 0.76
SCHEMBL6284511 0.76 LMNA (0.45) ALDH1A1TDP1LMNASMN1; 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 2 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

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 1715/4885TSHR 2116/4885ALDH1A1 1516/4885

“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.