SCHEMBL8813786

SCHEMBL8813786

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
TSHR P16473 3/20 0.42
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN1 P18031 3/20 0.35
NFKB1 P19838 3/20 0.34
CYP3A4 P08684 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL8811478 0.93 ACE2 (0.47) ACE2TSHRMAPTBLMHDAC1
SCHEMBL8814041 0.91 ACE2 (0.48) ACE2MAPTBLMPTPN1NFKB1
SCHEMBL8812393 0.86 TSHR (0.46) ACE2TSHRMAPTBLMHDAC1
SCHEMBL8811537 0.84 ACE2 (0.36) ACE2MAPTBLMPTPN1NFKB1
SCHEMBL7741480 0.83 ACE2 (0.55) ACE2TSHRTDP1PTPN1ALDH1A1
SCHEMBL8811563 0.82 ACE2 (0.48) ACE2MAPTBLMCA1CES2
SCHEMBL14681977 0.82 ACE2 (0.44) ACE2TSHRMAPTBLMHDAC1
SCHEMBL1783660 0.82 ACE2 (0.44) ACE2TSHRMAPTBLMHDAC1
SCHEMBL4003119 0.82 AKR1B1 (0.52) ACE2TSHRMAPTHDAC1HDAC2
SCHEMBL15824535 0.80 ACE2 (0.42) ACE2TSHRMAPTBLMHDAC1

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 12 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
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
US-5650430-A Radicicol derivatives, their preparation and their anti-tumor activity SANKYO COMPANY, LIMITED (JP) 1997-07-22 US disclosed
US-5597846-A ESTERS OF RADICICOL SANKYO COMPANY, LIMITED (JP) 1997-01-28 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 WO disclosed
EP-0460950-A1 Radicicol derivatives, their preparation and their anti-tumour activity Sankyo Company Limited (JP) 1991-12-11 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 ACE2 3629/4885TSHR 2875/4885MAPT 3449/4885
US-20180282274-A1 FULLERENE DERIVATIVE AND n-TYPE SEMICONDUCTOR MATERIAL SUN2, NES, L1CAM ACE2 3629/4885TSHR 2875/4885MAPT 3449/4885

“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.