SCHEMBL9946037

SCHEMBL9946037

CB(O)c1c(F)ccc(OCc2ccccc2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
LIPE Q05469 1/20 0.50
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
MRGPRX4 Q96LA9 4/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NPC1 O15118 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGER1 P34995 1/20 0.41
ERN1 O75460 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ENPP2 Q13822 1/20 0.40
BRD4 O60885 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
SCHEMBL257953 0.88 LIPE (0.53) KDM1ALIPEMAPTTDP1L3MBTL1
SCHEMBL29957681 0.79 LIPE (0.53) KDM1ALIPEMAPTTDP1L3MBTL1
SCHEMBL15129422 0.77 KDM1A (0.60) KDM1ALIPEMAPTTDP1L3MBTL1
SCHEMBL2560139 0.77 LIPE (0.63) KDM1ALIPEMAPTTDP1L3MBTL1
SCHEMBL29950787 0.77 LIPE (0.50) KDM1ALIPEMAPTTDP1L3MBTL1
SCHEMBL9450618 0.75 LIPE (0.51) KDM1ALIPEMAPTTDP1L3MBTL1
SCHEMBL20607693 0.74 LIPE (0.48) KDM1ALIPEMAPTL3MBTL1MRGPRX4
SCHEMBL2157681 0.74 LIPE (0.73) KDM1ALIPEMAPTTDP1L3MBTL1
SCHEMBL29634807 0.74 LIPE (0.58) KDM1ALIPEMAPTTDP1L3MBTL1
SCHEMBL18190569 0.74 LIPE (0.58) KDM1ALIPEMAPTTDP1L3MBTL1

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 KDM1A 4657/4885LIPE 3056/4885MAPT 2718/4885

“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.