SCHEMBL18680418

SCHEMBL18680418

CCn1c(C)cc(=O)c(O)c1CN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
CYP2C9 P11712 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.40
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 3/20 0.39
GAA P10253 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CRHR1 P34998 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
SCHEMBL18680403 0.86 KDM4E (0.42) HSD17B10MAPTKDM4ECASP1CASP7
SCHEMBL18662703 0.85 CRHR1 (0.41) HSD17B10CYP2C9ALOX15MAPTKDM4E
SCHEMBL7546969 0.75 POLB (0.49) HSD17B10KDM4EPOLBALDH1A1TSHR
SCHEMBL17285304 0.74 KDM4E (0.41) HSD17B10CYP2C9ALOX15KDM4ECASP1
Hydrochloric Acid SCHEMBL6993015 0.73 POLB (0.47) HSD17B10KDM4EPOLBALDH1A1TSHR
SCHEMBL12949658 0.71 CRHR1 (0.40) HSD17B10CYP2C9ALOX15MAPTKDM4E
SCHEMBL13555550 0.71 POLB (0.45) HSD17B10ALOX15MAPTKDM4ECASP1
Hydrochloric Acid SCHEMBL6992862 0.70 POLB (0.47) MAPTKDM4EPOLBALDH1A1MEN1
SCHEMBL11822627 0.65 HSD17B10 (0.66) HSD17B10CYP2C9ALOX15MAPTKDM4E
SCHEMBL28326950 0.65 MAPT (0.64) HSD17B10CYP2C9ALOX15MAPTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938240-B2 Fluorinated derivatives of 3-hydroxypyridin-4-ones APOTEX INC. (CA) 2018-04-10 US disclosed
US-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones THE BANK OF NOVA SCOTIA (CA) 2017-03-30 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-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones FH, FECH, FPGS HSD17B10 1265/4885CYP2C9 265/4885ALOX15 2136/4885

“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.