SCHEMBL6280134

SCHEMBL6280134

C=C(C)C(=O)OCCc1c(C(=O)O)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.44
LDHA P00338 1/20 0.43
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
GPR35 Q9HC97 2/20 0.39
THRB P10828 1/20 0.38
RAD52 P43351 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36

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
SCHEMBL8150164 0.85 TDP1 (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL28190753 0.84 WDR5 (0.43) WDR5LDHAPOLBAPEX1HTT
SCHEMBL28189969 0.82 WDR5 (0.42) WDR5LDHAPOLBAPEX1HTT
SCHEMBL5594535 0.82 RAD52 (0.45) POLBAPEX1HTTTDP1GPR35
SCHEMBL1535476 0.82 TDP1 (0.47) POLBAPEX1HTTTDP1THRB
SCHEMBL6283564 0.81 THRB (0.50) WDR5LDHAPOLBNR4A1NR4A2
SCHEMBL11183128 0.80 NCEH1 (0.38) POLBAPEX1HTTTDP1THRB
SCHEMBL1269728 0.80 POLB (0.45) POLBAPEX1HTTTDP1THRB
SCHEMBL27383301 0.80 POLB (0.45) POLBAPEX1HTTTDP1THRB
SCHEMBL6280145 0.80 POLB (0.40) POLBAPEX1HTTTDP1THRB

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 4 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-20040236064-A1 Plastic lens material, plastic lens composition, plastic lens obtained by curing the composition and process for producing the plastic lens SHOWA DENKO K.K. (JP) 2004-11-25 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 WDR5 26/4885LDHA 2047/4885POLB 2620/4885

“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.