SCHEMBL14769223

SCHEMBL14769223

COc1cc(Cc2ccccc2)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.57
LTA4H P09960 2/20 0.55
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.47
HTR7 P34969 2/20 0.46
CALM1 P0DP23 2/20 0.44
IDH1 O75874 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44

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
SCHEMBL12389920 0.90 CA2 (0.68) CA2ALDH1A1GAAHTR7CALM1
SCHEMBL9450898 0.85 CA2 (0.57) CA2LTA4HALDH1A1GAACALM1
SCHEMBL19298171 0.85 CA2 (0.57) CA2LTA4HALDH1A1GAACALM1
SCHEMBL83495 0.85 CA2 (0.80) CA2LTA4HALDH1A1GAAPOLB
SCHEMBL16181225 0.85 CA2 (0.80) CA2ALDH1A1GAATUBB4ATUBB
Ammonia Solution, Strong SCHEMBL4861530 0.83 CA2 (0.77) CA2LTA4HALDH1A1GAAPOLB
SCHEMBL28795975 0.80 CALM1 (0.68) CA2ALDH1A1GAACALM1IDH1
SCHEMBL27968775 0.80 CA2 (0.55) CA2LTA4HALDH1A1GAACALM1
SCHEMBL21446038 0.80 CA2 (0.50) CA2ALDH1A1GAAHTR7CALM1
SCHEMBL12366668 0.79 CA2 (0.53) CA2ALDH1A1GAAHTR7CALM1

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-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 CA2 3671/4885LTA4H 1430/4885ALDH1A1 4044/4885

“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.