SCHEMBL20489983

SCHEMBL20489983

CCC(CC([O])=O)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.43
CACNB3 P54284 1/20 0.43
CACNA1C Q13936 1/20 0.43
PGR P06401 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
CACNA2D2 Q9NY47 1/20 0.43
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CA2 P00918 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
BIRC2 Q13490 1/20 0.30

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
SCHEMBL275809 0.82
SCHEMBL12878966 0.81 CACNA2D1 (0.65) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL14269784 0.81 ALDH1A1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3416592 0.81 CACNA2D1 (0.65) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL11931661 0.79 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13855467 0.79 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27893048 0.77 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27539086 0.76 CACNA2D1 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL25724607 0.76 CACNA2D1 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL23494386 0.74 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A

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
EP-3372581-B1 FULLERENE DERIVATIVE AND n-TYPE SEMICONDUCTOR MATERIAL DAIKIN IND LTD (JP) 2021-06-23 EP disclosed
US-10894770-B2 Fullerene derivative and n-type semiconductor material DAIKIN INDUSTRIES, LTD. (JP) 2021-01-19 US disclosed
US-20180282274-A1 FULLERENE DERIVATIVE AND n-TYPE SEMICONDUCTOR MATERIAL DAIKIN INDUSTRIES, LTD. (JP) 2018-10-04 US disclosed
EP-3372581-A1 FULLERENE DERIVATIVE AND n-TYPE SEMICONDUCTOR MATERIAL Daikin Industries, Ltd. (JP) 2018-09-12 EP 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 (2 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-10894770-B2 Fullerene derivative and n-type semiconductor material SUN2, NES, L1CAM CACNA2D1 2525/4885CACNB3 1021/4885CACNA1C 1831/4885
US-20180282274-A1 FULLERENE DERIVATIVE AND n-TYPE SEMICONDUCTOR MATERIAL SUN2, NES, L1CAM CACNA2D1 2525/4885CACNB3 1021/4885CACNA1C 1831/4885

“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.