SCHEMBL15948823

SCHEMBL15948823

CCCCOC[C@H]1O[C@@H](OC)[C@@H](F)C1OCCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 4/20 0.42
SSTR1 P30872 1/20 0.41
SSTR2 P30874 1/20 0.41
SSTR4 P31391 1/20 0.41
SSTR3 P32745 1/20 0.41
SSTR5 P35346 1/20 0.41
TNF P01375 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FGF1 P05230 3/20 0.32
FGF2 P09038 3/20 0.32
VEGFA P15692 3/20 0.32
HPSE Q9Y251 3/20 0.32
GBA1 P04062 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
SCHEMBL15481866 1.00 GJB2 (0.42) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16576214 1.00 GJB2 (0.42) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL10154158 1.00 GJB2 (0.42) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14440635 0.94 SSTR1 (0.45) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL10240796 0.93 SSTR1 (0.43) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14302433 0.87 TNF (0.43) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14310974 0.87 TNF (0.43) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL10600403 0.87 GJB2 (0.43) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL10600399 0.87 GJB2 (0.43) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL15003969 0.86 SSTR1 (0.52) GJB2SSTR1SSTR2SSTR4SSTR3

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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO DEFENSE THREAT REDUCTION AGENCY, US DOD 2016-08-04 US disclosed
WO-2015038596-A1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-03-19 WO disclosed
WO-2014124430-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-08-14 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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP GJB2 1247/4885SSTR1 4845/4885SSTR2 4863/4885

“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.