SCHEMBL3799717

SCHEMBL3799717

COc1cc2c(cc1OCCN)Cc1cc(OC)c(OCCN)cc1Cc1cc(OC)c(OCCN)cc1C2

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
MAPT P10636 1/20 0.61
HTR2A P28223 7/20 0.46
MDM2 Q00987 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL13438448 0.81 CYP3A4 (0.61) CYP3A4MAPTHTR2AKDM4EDRD1
SCHEMBL7485407 0.80 HTR2A (0.53) HTR2AKDM4EATMHTR2CHTR2B
SCHEMBL22953681 0.79 MAPT (0.59) CYP3A4MAPTHTR2ACYP1A2CYP2C19
SCHEMBL29394312 0.78 CYP3A4 (1.00) CYP3A4MAPTKDM4ECYP2D6DRD1
SCHEMBL22953335 0.78 CYP3A4 (1.00) CYP3A4MAPTKDM4ECYP2D6DRD1
SCHEMBL4571013 0.78 CYP3A4 (1.00) CYP3A4MAPTKDM4ECYP2D6DRD1
SCHEMBL2138785 0.78 CYP3A4 (1.00) CYP3A4MAPTKDM4ECYP2D6DRD1
SCHEMBL22029967 0.78 MAPT (0.70) CYP3A4MAPTHTR2AKDM4ECYP2D6
SCHEMBL13228352 0.74 MAPT (0.52) CYP3A4MAPTKDM4EDRD1DRD4
SCHEMBL6904036 0.72 MAPT (0.84) CYP3A4MAPTHTR2AKDM4EDRD1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7771691-B2 Compound and method for the selective extraction of higher fullerenes from mixtures of fullerenes INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2010-08-10 US disclosed
US-7771691-B2 Compound and method for the selective extraction of higher fullerenes from mixtures of fullerenes INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2010-08-10 US disclosed
US-7771691-B2 Compound and method for the selective extraction of higher fullerenes from mixtures of fullerenes INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2010-08-10 US disclosed
US-20080025904-A1 Compound and Method for the Selective Extraction of Higher Fullerenes from Mixtures of Fullerenes INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2008-01-31 US disclosed
US-20080025904-A1 Compound and Method for the Selective Extraction of Higher Fullerenes from Mixtures of Fullerenes INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2008-01-31 US disclosed
US-20080025904-A1 Compound and Method for the Selective Extraction of Higher Fullerenes from Mixtures of Fullerenes INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2008-01-31 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-20080025904-A1 Compound and Method for the Selective Extraction of Higher Fullerenes from Mixtures of Fullerenes H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYC1, SNX2 CYP3A4 327/4885MAPT 1727/4885HTR2A 2675/4885

“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.