SCHEMBL12837128

SCHEMBL12837128

CCCCOCC1O[C@H](O[C@H]2OC(CO)[C@@H](OCCCC)C(OCCCC)C2OCCCC)C(OCCCC)C(OCCCC)[C@@H]1OCCCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 5/20 0.45
▸ SSTR1 P30872 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ MAPK1 P28482 1/20 0.36
▸ FGF1 P05230 3/20 0.35
▸ FGF2 P09038 3/20 0.35
▸ VEGFA P15692 3/20 0.35
▸ HPSE Q9Y251 3/20 0.35
▸ TNF P01375 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LGALS8 O00214 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ LGALS4 P56470 1/20 0.34
▸ TSHR P16473 1/20 0.33

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
SCHEMBL13620137 0.95 GJB2 (0.46) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL12837359 0.91 GJB2 (0.42) GJB2MAPK1FGF1FGF2VEGFA
SCHEMBL16255822 0.91 GJB2 (0.42) GJB2MAPK1FGF1FGF2VEGFA
SCHEMBL15481944 0.88 GJB2 (0.42) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL18311512 0.88 GJB2 (0.49) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16374731 0.85 GJB2 (0.45) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14670875 0.85 GJB2 (0.45) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL18333049 0.85 GJB2 (0.45) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL18332876 0.85 GJB2 (0.45) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL15255429 0.85 GJB2 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120263649-A1 DETECTION OF MYCOBACTERIA ISIS INNOVATION LIMITED (GB) 2012-10-18 — — US disclosed
WO-2011030160-A1 DETECTION OF MYCOBACTERIA ISIS INNOVATION LIMITED (GB) 2011-03-17 — — 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-20120263649-A1 DETECTION OF MYCOBACTERIA LY96, MICA, CD74 GJB2 3072/4885SSTR1 3205/4885SSTR2 3750/4885

“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