SCHEMBL19004669

SCHEMBL19004669

CC[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.49
RCOR1 Q9UKL0 1/20 0.49
HTR2C P28335 5/20 0.45
TSHR P16473 1/20 0.42
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTR2A P28223 3/20 0.39
HTR2B P41595 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NOS3 P29474 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
SCHEMBL22335040 1.00 KDM1A (0.49) KDM1ARCOR1HTR2CTSHRMAOB
SCHEMBL14643863 0.81 KDM1A (0.44) KDM1ARCOR1HTR2CTSHRMAOB
SCHEMBL23995555 0.81 HTR2C (0.43) KDM1AHTR2CALDH1A1HTR2AHTR2B
SCHEMBL18998726 0.79 KDM1A (0.47) KDM1ARCOR1TSHRMAOBALDH1A1
SCHEMBL18998470 0.79 KDM1A (0.47) KDM1ARCOR1TSHRMAOBALDH1A1
SCHEMBL12875677 0.79 KDM1A (0.47) KDM1ARCOR1TSHRMAOBALDH1A1
SCHEMBL23995535 0.79 HTR2C (0.69) KDM1AHTR2CMAOBHTR2AHTR2B
SCHEMBL16591278 0.79 HTR2C (0.69) KDM1AHTR2CMAOBHTR2AHTR2B
SCHEMBL23993580 0.77 HTR2C (0.67) KDM1ARCOR1HTR2CMAOBHTR2A
SCHEMBL15767785 0.77 HTR2C (0.67) KDM1ARCOR1HTR2CMAOBHTR2A

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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS KDM1A 2010/4885RCOR1 1638/4885HTR2C 4299/4885

“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.