SCHEMBL17170481

SCHEMBL17170481

CC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](C=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
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
SCHEMBL17170474 1.00 CYP2C9 (0.39) CYP2C9SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL17170399 1.00 CYP2C9 (0.39) CYP2C9SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL9610150 0.92 SLC1A3 (0.41) CYP2C9SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL28563227 0.85 SLC1A3 (0.46) CYP2C9SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL28557184 0.85 SLC1A3 (0.46) CYP2C9SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL10507314 0.85 SLC1A3 (0.42) CYP2C9SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL10507160 0.85 SLC1A3 (0.42) CYP2C9SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL10507624 0.85 SLC1A3 (0.42) CYP2C9SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL21977968 0.85 SLC1A3 (0.42) CYP2C9SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL10509040 0.85 SLC1A3 (0.42) CYP2C9SLC1A3SLC1A2SLC1A1CYP2C19

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-9975911-B2 Antibacterial compounds and biological applications thereof MUTABILIS (FR) 2018-05-22 US disclosed
US-20150291636-A1 ANTIBACTERIAL COMPOUNDS AND BIOLOGICAL APPLICATIONS THEREOF LABORATOIRE BIODIM (FR) 2015-10-15 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-20150291636-A1 ANTIBACTERIAL COMPOUNDS AND BIOLOGICAL APPLICATIONS THEREOF C3AR1, CFH, MSR1 CYP2C9 3512/4885SLC1A3 3566/4885SLC1A2 3702/4885

“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.