SCHEMBL9911693

SCHEMBL9911693

CC(C)C(=O)OCC(O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ELANE P08246 1/20 0.31
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL2735481 0.83 LMNA (0.35) TSHRMAPTPOLB
SCHEMBL1498188 0.83 MAPT (0.47) TSHRMAPTTP53ALDH1A1ELANE
Isopropyl Alcohol SCHEMBL28680436 0.81 TSHR (0.48) TSHRMAPTALDH1A1
SCHEMBL20307204 0.80 TSHR (0.36) TSHRMAPTALDH1A1ELANEPOLB
SCHEMBL41548 0.80 TSHR (0.52) TSHRMAPTALDH1A1
SCHEMBL13168166 0.80 TSHR (0.36) TSHRMAPTALDH1A1ELANEPOLB
SCHEMBL9154017 0.79 TSHR (0.32) TSHRMAPT
SCHEMBL5604725 0.79 GRIN2D (0.37) TSHRMAPT
SCHEMBL28484563 0.79 TSHR (0.32) TSHRMAPT
SCHEMBL18270557 0.78 TSHR (0.34) TSHRMAPTALDH1A1ELANEPOLB

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-20120142627-A1 MONOPHOSPHATE PRODRUGS OF DAPD AND ANALOGS THEREOF EMORY UNIVERSITY (US) 2012-06-07 US disclosed
US-20100210840-A1 STEREOSELECTIVE PROCESS FOR PREPARING PURINE DIOXOLANE NUCLEOSIDE DERIVATIVES RFS PHARMA, LLC 2010-08-19 US disclosed
EP-1648894-B1 METHOD FOR THE PRODUCTION OF OH PROTECTED [4-(2.6-DIAMINO-9H-PURINE-9-YL)- 1.3-DIOXOLANE-2-YL]METHANOL DERIVATIVES WACKER CHEMIE AG (DE) 2007-09-12 EP 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 (2 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-20100210840-A1 STEREOSELECTIVE PROCESS FOR PREPARING PURINE DIOXOLANE NUCLEOSIDE DERIVATIVES PNP, NUDT1, GART TSHR 4270/4885MAPT 4628/4885TP53 4237/4885
US-20120142627-A1 MONOPHOSPHATE PRODRUGS OF DAPD AND ANALOGS THEREOF DCTD, ENTPD5, PNP TSHR 3698/4885MAPT 3091/4885TP53 303/4885

“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.