SCHEMBL14419552

SCHEMBL14419552

CCCCOC[C@H]1O[C@H](OCCCC)C(O)[C@H]1OCCCC

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 5/20 0.54
GBA1 P04062 2/20 0.42
TNF P01375 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
IGF2R P11717 4/20 0.38
FGF1 P05230 2/20 0.35
FGF2 P09038 2/20 0.35
VEGFA P15692 2/20 0.35
HPSE Q9Y251 2/20 0.35

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
SCHEMBL2670685 0.95 GJB2 (0.54) GJB2GBA1TNFMAPK1IGF2R
SCHEMBL2670689 0.95 GJB2 (0.54) GJB2GBA1TNFMAPK1IGF2R
SCHEMBL9926368 0.95 GJB2 (0.50) GJB2GBA1TNFSMN1; SMN2MAPK1
SCHEMBL9926358 0.95 GJB2 (0.50) GJB2GBA1TNFSMN1; SMN2MAPK1
SCHEMBL1342242 0.91 GBA1 (0.51) GJB2GBA1TNFMAPK1IGF2R
SCHEMBL17976782 0.91 GJB2 (0.52) GJB2GBA1TNFSMN1; SMN2MAPK1
SCHEMBL19644571 0.91 GJB2 (0.52) GJB2GBA1TNFSMN1; SMN2MAPK1
SCHEMBL17359603 0.91 GJB2 (0.52) GJB2GBA1TNFSMN1; SMN2MAPK1
SCHEMBL12924474 0.91 GJB2 (0.52) GJB2GBA1TNFSMN1; SMN2MAPK1
SCHEMBL15948696 0.91 GJB2 (0.52) GJB2GBA1TNFSMN1; SMN2MAPK1

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-20070225246-A1 O-acetyl-ADP-ribose non-hydrolyzable analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-27 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-20070225246-A1 O-acetyl-ADP-ribose non-hydrolyzable analogs PARP1, TIPARP, CD38 GJB2 4884/4885GBA1 1556/4885TNF 4391/4885

“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.