SCHEMBL12732779

SCHEMBL12732779

CC(C)(C)c1ccc(Oc2cccc(OC(F)(F)F)c2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ F10 P00742 1/20 0.38
▸ CETP P11597 2/20 0.38
▸ TRPV1 Q8NER1 2/20 0.37
▸ VNN1 O95497 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ ERBB4 Q15303 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
SCHEMBL12732731 0.84 NPSR1 (0.50) NPSR1MAPTL3MBTL1ALDH1A1HPGD
SCHEMBL12732677 0.84 ALDH1A1 (0.47) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL13581087 0.83 IDO1 (0.39) TRPV1CYP3A4CYP2C9CYP2C19
SCHEMBL13580939 0.82 TRPV1 (0.47) NPSR1MAPTALDH1A1HPGDTRPV1
SCHEMBL12806857 0.81 TTR (0.50) TTR
SCHEMBL2875719 0.81 TTR (0.56) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL12732775 0.80 CYP1A2 (0.49) NPSR1MAPTALDH1A1HPGDALOX15
SCHEMBL12953070 0.80 TRPV1 (0.42) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9588339 0.79 AR (0.50) MAPTF10CETPTTRAR
SCHEMBL12952765 0.78 FYN (0.45) CETPCYP3A4CYP2C9CYP2C19

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-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 — — US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 — — 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-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 NPSR1 2739/4885MAPT 2939/4885L3MBTL1 4555/4885

“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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