SCHEMBL13751485

SCHEMBL13751485

C=C(Cc1cccc2ccccc12)OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPK8 P45983 3/20 0.50
▸ MAPK9 P45984 3/20 0.50
▸ MAPK10 P53779 3/20 0.50
▸ PTPN1 P18031 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TRPM5 Q9NZQ8 1/20 0.45

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
SCHEMBL28358062 0.81 TDP1 (0.66) ATMTDP1L3MBTL1CYP1A2CYP2D6
SCHEMBL3826534 0.80 ATM (0.58) ATMTDP1L3MBTL1MAPK8MAPK9
SCHEMBL6027916 0.79 TDP1 (0.58) ATMTDP1L3MBTL1CYP1A2CYP2D6
SCHEMBL709403 0.79 L3MBTL1 (0.68) ATMTDP1L3MBTL1MAPK8MAPK9
Hydrochloric Acid SCHEMBL10405007 0.79 ATM (0.56) ATMTDP1L3MBTL1MAPK8MAPK9
SCHEMBL29503119 0.79 L3MBTL1 (0.68) ATMTDP1L3MBTL1MAPK8MAPK9
SCHEMBL9267070 0.79 ATM (0.56) ATMTDP1L3MBTL1MAPK8MAPK9
SCHEMBL6028190 0.78 TDP1 (0.56) ATMTDP1L3MBTL1CYP1A2CYP2D6
SCHEMBL21530481 0.77 CYP1A2 (0.49) ATMTDP1L3MBTL1MAPK8MAPK9
SCHEMBL4685576 0.76 TDP1 (0.55) ATMTDP1L3MBTL1CYP1A2CYP2D6

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-20090197895-A1 OXAZOLE-PYRROLE-PIPERAZINE ALPHA-HELIX MIMETIC THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-06 — — 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-20090197895-A1 OXAZOLE-PYRROLE-PIPERAZINE ALPHA-HELIX MIMETIC OXA1L, OCIAD1, OCIAD2 ATM 4409/4885TDP1 3455/4885L3MBTL1 379/4885

“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.

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