SCHEMBL13449591

SCHEMBL13449591

CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)C(CO)O[C@@H]1O[C@H]1OC(CO)[C@@H](C)[C@H](OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
TACR2 P21452 1/20 0.42
SSTR1 P30872 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42
SSTR3 P32745 1/20 0.42
SSTR5 P35346 1/20 0.42
PTPN1 P18031 3/20 0.40
PTPN2 P17706 1/20 0.40
PTPN11 Q06124 1/20 0.40
BCHE P06276 1/20 0.40
FGF1 P05230 2/20 0.39
FGF2 P09038 2/20 0.39
VEGFA P15692 2/20 0.39
HPSE Q9Y251 2/20 0.39
LGALS8 O00214 1/20 0.39
CDC25B P30305 1/20 0.39
NT5E P21589 1/20 0.39
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL13449594 0.92 PTPN1 (0.49) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL16253827 0.90 SLC6A2 (0.47) SLC6A2TACR2SSTR1SSTR2SSTR4
SCHEMBL26349674 0.88 SLC6A2 (0.48) SLC6A2TACR2SSTR1SSTR2SSTR4
SCHEMBL16076881 0.88 SLC6A2 (0.48) SLC6A2TACR2SSTR1SSTR2SSTR4
SCHEMBL23516861 0.88 SLC6A2 (0.53) SLC6A2TACR2SSTR1SSTR2SSTR4
SCHEMBL14502450 0.88 SLC6A2 (0.53) SLC6A2TACR2SSTR1SSTR2SSTR4
SCHEMBL10352261 0.82 SLC6A2 (0.52) SLC6A2TACR2SSTR1SSTR2SSTR4
SCHEMBL17679385 0.82 SSTR1 (0.50) SLC6A2TACR2SSTR1SSTR2SSTR4
SCHEMBL31421192 0.81 SSTR1 (0.58) SLC6A2TACR2SSTR1SSTR2SSTR4
SCHEMBL28577540 0.81 SSTR1 (0.58) SLC6A2TACR2SSTR1SSTR2SSTR4

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-20120263649-A1 DETECTION OF MYCOBACTERIA ISIS INNOVATION LIMITED (GB) 2012-10-18 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-20120263649-A1 DETECTION OF MYCOBACTERIA LY96, MICA, CD74 SLC6A2 4106/4885TACR2 1957/4885SSTR1 3205/4885

“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.