SCHEMBL12136334

SCHEMBL12136334

C[C@@H]1C(CO)O[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@H]1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
FGF1 P05230 2/20 0.42
FGF2 P09038 2/20 0.42
VEGFA P15692 2/20 0.42
HPSE Q9Y251 2/20 0.42
LGALS8 O00214 1/20 0.42
PTPN1 P18031 3/20 0.41
CDC25B P30305 3/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
TACR2 P21452 1/20 0.41
PDE4D Q08499 1/20 0.41
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
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL18718057 1.00 SLC6A2 (0.48) SLC6A2FGF1FGF2VEGFAHPSE
SCHEMBL18718064 1.00 SLC6A2 (0.48) SLC6A2FGF1FGF2VEGFAHPSE
SCHEMBL15504370 1.00 SLC6A2 (0.48) SLC6A2FGF1FGF2VEGFAHPSE
SCHEMBL18328601 1.00 SLC6A2 (0.48) SLC6A2FGF1FGF2VEGFAHPSE
SCHEMBL16367579 0.92 SSTR1 (0.49) SLC6A2LGALS8PTPN1TSHRCYP2C19
SCHEMBL26349674 0.91 SLC6A2 (0.48) SLC6A2FGF1FGF2VEGFAHPSE
SCHEMBL16076881 0.91 SLC6A2 (0.48) SLC6A2FGF1FGF2VEGFAHPSE
SCHEMBL13057306 0.89 SLC6A2 (0.45) SLC6A2FGF1FGF2VEGFAHPSE
SCHEMBL14478880 0.89 SLC6A2 (0.45) SLC6A2FGF1FGF2VEGFAHPSE
SCHEMBL18718054 0.88 SLC6A2 (0.44) SLC6A2FGF1FGF2VEGFAHPSE

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-20170102349-A1 ELECTROCHEMICAL METHODS AND COMPOUNDS FOR THE DETECTION OF ENZYMES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-13 US disclosed
US-20110286937-A1 SYNTHETIC GLYCOLIPID-CONTAINING LIPOSOME GIFU UNIVERSITY (JP) 2011-11-24 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 (2 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-20110286937-A1 SYNTHETIC GLYCOLIPID-CONTAINING LIPOSOME UGCG, SGMS2, CERT1 SLC6A2 2270/4885FGF1 3524/4885FGF2 2620/4885
US-20170102349-A1 ELECTROCHEMICAL METHODS AND COMPOUNDS FOR THE DETECTION OF ENZYMES EPX, DNASE1, DERA SLC6A2 1731/4885FGF1 4829/4885FGF2 4878/4885

“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.