SCHEMBL6534833

SCHEMBL6534833

Cc1ncc(COCOP(=O)(O)O)c(CO)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 1/20 0.55
ESR1 P03372 1/20 0.52
PTGS1 P23219 1/20 0.52
ACP1 P24666 1/20 0.52
PDE4A P27815 1/20 0.52
P2RX1 P51575 1/20 0.52
P2RX2 Q9UBL9 1/20 0.52
PNPO Q9NVS9 1/20 0.51
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
SGPL1 O95470 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AOX1 Q06278 1/20 0.40

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
SCHEMBL43880 0.89 ESR1 (0.64) HPGDKDM4EALDH1A1HSD17B10ESR1
SCHEMBL29384180 0.89 ESR1 (0.64) HPGDKDM4EALDH1A1HSD17B10ESR1
Water SCHEMBL371432 0.88 ESR1 (0.63) HPGDKDM4EALDH1A1HSD17B10ESR1
Ammonia Solution, Strong SCHEMBL31241292 0.88 ESR1 (0.63) HPGDKDM4EALDH1A1HSD17B10ESR1
Hydrochloric Acid SCHEMBL14331173 0.88 ESR1 (0.63) HPGDKDM4EALDH1A1HSD17B10ESR1
SCHEMBL4576792 0.84 KDM4E (0.58) HPGDKDM4EALDH1A1HSD17B10ESR1
SCHEMBL140749 0.81 HPGD (0.61) HPGDKDM4EALDH1A1HSD17B10ESR1
SCHEMBL4576787 0.80 KDM4E (0.56) HPGDKDM4EALDH1A1HSD17B10ESR1
SCHEMBL22857703 0.80 HPGD (0.56) HPGDKDM4EALDH1A1HSD17B10ESR1
SCHEMBL29040292 0.80 HPGD (0.59) HPGDKDM4EALDH1A1HSD17B10ESR1

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-20040121988-A1 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL INC. (BB) 2004-06-24 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-20040121988-A1 Treatment of cerebrovascular disease PNPO, PLPBP, PDXK HPGD 242/4885KDM4E 1621/4885ALDH1A1 1627/4885

“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.