SCHEMBL9946110

SCHEMBL9946110

CB(C)c1cc2ccccc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
MGLL Q99685 1/20 0.64
HSD17B10 Q99714 1/20 0.64
LOXL2 Q9Y4K0 1/20 0.48
AGXT P21549 1/20 0.44
CYP2A6 P11509 2/20 0.44
FLT3 P36888 1/20 0.44
TYR P14679 1/20 0.42
DAO P14920 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 5/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
CYP1A2 P05177 1/20 0.42
NT5E P21589 1/20 0.42
CA2 P00918 2/20 0.41

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
SCHEMBL10343480 0.83 KDM4E (0.71) KDM4ETDP1MGLLHSD17B10LOXL2
SCHEMBL16633354 0.78 KDM4E (0.77) KDM4ETDP1MGLLHSD17B10LOXL2
SCHEMBL147973 0.78 KDM4E (1.00) KDM4ETDP1MGLLHSD17B10LOXL2
Naphthalene SCHEMBL29205373 0.77 KDM4E (0.96) KDM4ETDP1MGLLHSD17B10LOXL2
SCHEMBL22684755 0.74 KDM4E (0.79) KDM4ETDP1MGLLHSD17B10LOXL2
SCHEMBL7742612 0.72 KDM4E (0.67) KDM4ETDP1MGLLHSD17B10LOXL2
SCHEMBL14216537 0.71 KDM4E (0.65) KDM4ETDP1MGLLHSD17B10LOXL2
SCHEMBL12264 0.70 KDM4E (0.48) KDM4ETDP1MGLLHSD17B10LOXL2
SCHEMBL29670757 0.70 KDM4E (0.48) KDM4ETDP1MGLLHSD17B10LOXL2
SCHEMBL28329255 0.70 KDM4E (0.48) KDM4ETDP1MGLLHSD17B10LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KDM4E 4270/4885TDP1 3577/4885MGLL 2486/4885

“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.