SCHEMBL13710201

SCHEMBL13710201

Cc1sc(-c2cccc(C(F)(F)F)c2)nc1C1=C(O)C(C)(C)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ RARA P10276 2/20 0.36
▸ RARB P10826 2/20 0.36
▸ RARG P13631 2/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RORB Q92753 2/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ PIN1 Q13526 1/20 0.35

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
SCHEMBL13710200 0.81 MAPT (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13761071 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13710195 0.73 RARA (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2094451 0.69 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13710187 0.69 RARA (0.42) ALDH1A1RARARARBRARG
SCHEMBL1199183 0.68 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13710198 0.68 WRN (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13761070 0.68 MEN1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13710177 0.67 APEX1 (0.40) ALDH1A1SMN1; SMN2KMT2AMAPTRARA
SCHEMBL2094449 0.67 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595404-B2 Thiazolyl-substituted carbocyclic 1,3-diones as pesticidal agents BAYER CROPSCIENCE AG (DE) 2009-09-29 — — US disclosed
US-7595404-B2 Thiazolyl-substituted carbocyclic 1,3-diones as pesticidal agents BAYER CROPSCIENCE AG (DE) 2009-09-29 — — US disclosed
US-20070135630-A1 Thiazolyl-substsituted carbocylic 1,3-diones as pesticidal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-06-14 — — US disclosed
US-20070135630-A1 Thiazolyl-substsituted carbocylic 1,3-diones as pesticidal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-06-14 — — 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-20070135630-A1 Thiazolyl-substsituted carbocylic 1,3-diones as pesticidal agents DDT, CYP4B1, CYP1B1 ALDH1A1 620/4885SMN1; SMN2 4582/4885MEN1 2445/4885

“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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