SCHEMBL20490010

SCHEMBL20490010

CCCC(C([O])=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
NFKB1 P19838 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL20489978 0.85 CA2 (0.41) CA1CA2FDPS
SCHEMBL4575363 0.81 CHRM1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL20490043 0.80 CA2 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12880105 0.79 TDP1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3652466 0.79 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL967949 0.79 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3651519 0.79 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL17037482 0.79 TDP1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL277024 0.78
SCHEMBL4729539 0.77 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C

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 5 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
CN-108137498-A Fullerene derivate and n-type semiconductor 大金工业株式会社 2018-06-08 CN 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 CHRM1 51/4885AKR1A1 2502/4885CHRM3 208/4885
US-20180282274-A1 FULLERENE DERIVATIVE AND n-TYPE SEMICONDUCTOR MATERIAL SUN2, NES, L1CAM CHRM1 51/4885AKR1A1 2502/4885CHRM3 208/4885

“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.