SCHEMBL10107982

SCHEMBL10107982

Cc1ccc(-c2nc3ccc(C(F)(F)F)cc3cc2CCCO)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
BACE1 P56817 1/20 0.34
CTSK P43235 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 1/20 0.32
ADORA2A P29274 8/20 0.32
EIF4A1 P60842 1/20 0.32
TLR8 Q9NR97 2/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
NR4A1 P22736 1/20 0.31

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
SCHEMBL10107977 0.81 NPBWR1 (0.43) KDM4EBACE1CTSKKCNH2ALDH1A1
SCHEMBL3383001 0.78 DHODH (0.45) KDM4ECTSKKCNH2DHODH
SCHEMBL10102653 0.78 CTSK (0.40) KDM4EBACE1CTSKKCNH2ALDH1A1
SCHEMBL13005263 0.77 DHFR (0.40) KDM4EBACE1CTSKKCNH2SMN1; SMN2
SCHEMBL10102657 0.76 NPBWR1 (0.44) KDM4EBACE1CTSKKCNH2DHODH
SCHEMBL13004730 0.75 ERCC5 (0.35) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL10102652 0.75 TRPA1 (0.43) KDM4EBACE1CTSKKCNH2MAPT
SCHEMBL10102644 0.74 GPBAR1 (0.42) KDM4EBACE1CTSKKCNH2POLB
SCHEMBL10102647 0.74 PDE5A (0.40) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13005264 0.73 KDM4E (0.39) KDM4EBACE1CTSKKCNH2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B KDM4E 2071/4885BACE1 4159/4885CTSK 3797/4885

“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.