SCHEMBL19251350

SCHEMBL19251350

COCc1ccc(F)c(OC)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.48
ADRA1A P35348 1/20 0.36
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 1/20 0.34
PRKCE Q02156 2/20 0.33
MYLK Q15746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCA P17252 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP19A1 P11511 1/20 0.33
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30

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
SCHEMBL19251063 0.82 MEP1B (0.43) MEP1BROCK2ROCK1CYP19A1
SCHEMBL14203437 0.82 MEP1B (0.53) MEP1BROCK2ROCK1ALDH1A1CYP19A1
SCHEMBL23635696 0.81 MEP1B (0.50) MEP1BALDH1A1MAPTTUBB4ATUBB
SCHEMBL22768370 0.81 ALOX5AP (0.42) MEP1BADRA1AALDH1A1MEN1KMT2A
SCHEMBL8274219 0.80 MEP1B (0.48) MEP1BROCK2ROCK1MAPTCYP19A1
SCHEMBL4592694 0.80 MEP1B (0.51) MEP1BROCK2ROCK1MAPTCYP19A1
SCHEMBL8471671 0.80 MEP1B (0.48) MEP1BROCK2ROCK1ALDH1A1MAPT
SCHEMBL8470910 0.80 MEP1B (0.51) MEP1BROCK2ROCK1ALDH1A1MAPT
SCHEMBL27668305 0.78 MEP1B (0.47) MEP1BADRA1A
SCHEMBL13548283 0.78 MEP1B (0.47) MEP1BROCK2ROCK1CYP19A1

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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 MEP1B 4197/4885ADRA1A 2622/4885ROCK2 1265/4885

“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.