SCHEMBL17682117

SCHEMBL17682117

CCOC(=O)C1(C(C)(O)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
OPRM1 P35372 6/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
POLB P06746 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL19601333 0.81 ALDH1A1 (0.37) MAPTOPRM1OPRD1OPRK1POLB
SCHEMBL9313190 0.81 DGAT1 (0.41) MAPTHIF1AOPRM1OPRD1OPRK1
SCHEMBL16075830 0.79 ALDH1A1 (0.39) MAPTOPRM1OPRD1OPRK1POLB
SCHEMBL1255240 0.74 SMN1; SMN2 (0.41) OPRM1OPRD1OPRK1POLBSMN1; SMN2
SCHEMBL4671893 0.74 GAA (0.38) OPRM1OPRD1OPRK1POLBSMN1; SMN2
SCHEMBL19210148 0.72 FFAR3 (0.39) ALDH1A1
SCHEMBL11372937 0.70 SMN1; SMN2 (0.37) OPRM1OPRD1OPRK1POLBSMN1; SMN2
SCHEMBL4153304 0.70 POLB (0.33) OPRM1OPRD1OPRK1POLBSMN1; SMN2
SCHEMBL1684094 0.70 OPRM1 (0.48) MAPTOPRM1OPRD1OPRK1POLB
SCHEMBL4675074 0.69 OPRM1 (0.34) HIF1AOPRM1OPRD1OPRK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 WO disclosed
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 WO 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A MAPT 974/4885HIF1A 1039/4885OPRM1 1344/4885

“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.