SCHEMBL18081990

SCHEMBL18081990

CCCCOC[C@H]1O[C@@H](c2cc(C)c(OCCCC)nc2F)[C@@H](OCCCC)C1OCCCC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ GJB2 P29033 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL16631666 0.82 GJB2 (0.33) GJB2
SCHEMBL18081967 0.82 GJB2 (0.33) GJB2
SCHEMBL14605405 0.81 SSTR1 (0.34) GJB2SMN1; SMN2
SCHEMBL13592729 0.81 SSTR1 (0.34) GJB2SMN1; SMN2
SCHEMBL17378597 0.81 SSTR1 (0.32) GJB2
SCHEMBL16809051 0.81 SSTR1 (0.32) GJB2
SCHEMBL16631719 0.81 GJB2 (0.32) GJB2
SCHEMBL16631780 0.81 ALDH1A1 (0.32) RARARARBRARGGJB2SMN1; SMN2
SCHEMBL16808981 0.79 SSTR1 (0.33) GJB2SMN1; SMN2
SCHEMBL17378673 0.79 SSTR1 (0.33) GJB2SMN1; SMN2

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 — — 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 RARA 3100/4885RARB 2626/4885RARG 2664/4885

“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.

Send feedback