SCHEMBL14769225

SCHEMBL14769225

CC(C)C(=O)OCOP(=O)(Cc1ccc2ccccc2n1)OCOC(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
GPBAR1 Q8TDU6 4/20 0.39
CYSLTR1 Q9Y271 9/20 0.39
CYSLTR2 Q9NS75 6/20 0.39
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL29426992 0.78 CYP1A2 (0.44) CYP1A2GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL2401081 0.78 CYP1A2 (0.44) CYP1A2GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL14769176 0.78 ALDH1A1 (0.43) CYP1A2ALDH1A1
SCHEMBL14769163 0.76 LIPG (0.38)
SCHEMBL9005990 0.75 CYP1A2 (0.46) CYP1A2GPBAR1CYSLTR1CYSLTR2ALDH1A1
SCHEMBL12723090 0.72 CYP1A2 (0.49) CYP1A2GPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL14769243 0.70 CYP19A1 (0.41) ALDH1A1HPGD
SCHEMBL14769121 0.70 PGK1 (0.60) CYP1A2GPBAR1CYSLTR1CYSLTR2ALDH1A1
SCHEMBL14769251 0.69 FDPS (0.43) ALDH1A1HPGD
SCHEMBL1585267 0.69 CYP1A2 (0.45) CYP1A2GPBAR1CYSLTR1CYSLTR2ALDH1A1

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-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 US disclosed
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 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-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY DDX18, FPR1, DCXR CYP1A2 4027/4885GPBAR1 1179/4885CYSLTR1 182/4885

“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.