SCHEMBL16859619

SCHEMBL16859619

O=C(O)CC(O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
GRIK1 P39086 2/20 0.45
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
CYP2C9 P11712 3/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAOB P27338 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43

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
SCHEMBL16859620 1.00 CYP1A2 (0.47) CYP1A2GRIK1GABBR2GABBR1CYP2C9
SCHEMBL8885838 0.84 PAM (0.50) CYP1A2CYP2C9LMNACYP2D6MAOB
SCHEMBL8885832 0.84 PAM (0.50) CYP1A2CYP2C9LMNACYP2D6MAOB
SCHEMBL16865353 0.80 NOS3 (0.45) CYP1A2CYP2C9LMNACYP2C19MEN1
SCHEMBL31353022 0.80 CYP1B1 (0.53) MEN1KMT2AMAOBCYP1B1POLB
SCHEMBL16865329 0.80 NOS3 (0.45) CYP1A2CYP2C9LMNACYP2C19MEN1
SCHEMBL16859612 0.80 NOS3 (0.45) CYP1A2CYP2C9LMNACYP2C19MEN1
SCHEMBL22076572 0.78 MAOB (0.49) GRIK1MEN1KMT2AMAOBGRIK2
SCHEMBL10754122 0.71 GRIK1 (0.53) CYP1A2GRIK1CYP2C9LMNACYP2D6
SCHEMBL8902345 0.71 GRIK1 (0.53) CYP1A2GRIK1CYP2C9LMNACYP2D6

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-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN CYP1A2 259/4885GRIK1 1746/4885GABBR2 461/4885

“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.