SCHEMBL18680403

SCHEMBL18680403

CCn1c(C)cc(=O)c(O)c1CN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.42
ALDH1A1 P00352 10/20 0.41
GAA P10253 7/20 0.41
GLA P06280 5/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 5/20 0.39
HIF1A Q16665 4/20 0.39
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 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
SCHEMBL17285304 0.87 KDM4E (0.41) KDM4EALDH1A1GAAGLACASP1
SCHEMBL18680418 0.86 HSD17B10 (0.42) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL12949658 0.84 CRHR1 (0.40) KDM4EALDH1A1GAAGLACASP1
SCHEMBL7546969 0.77 POLB (0.49) KDM4EALDH1A1HSD17B10POLBTDP1
Hydrochloric Acid SCHEMBL6993015 0.75 POLB (0.47) KDM4EALDH1A1HSD17B10POLBTDP1
SCHEMBL13555550 0.73 POLB (0.45) KDM4EALDH1A1GAAGLACASP1
Hydrochloric Acid SCHEMBL6992862 0.72 POLB (0.47) KDM4EALDH1A1POLBTDP1KMT2A
SCHEMBL18662703 0.71 CRHR1 (0.41) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL8102798 0.64 POLB (0.44) KDM4EALDH1A1POLBL3MBTL1
SCHEMBL28954525 0.64 TRPV1 (0.45) KDM4EALDH1A1KMT2AMEN1BLM

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 KDM4E 2785/4885ALDH1A1 537/4885GAA 532/4885

“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.