SCHEMBL12733560

SCHEMBL12733560

CC(C)(C)c1ccc(Oc2ccc(Cl)c(O)c2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.51
▸ ESRRA P11474 4/20 0.45
▸ ALDH1A1 P00352 6/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ATP2A2 P16615 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ATP2A3 Q93084 1/20 0.42
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MIF P14174 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40

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
SCHEMBL12732790 0.86 HSP90AA1 (0.45) HSP90AA1ESRRANR1I2
SCHEMBL12732749 0.84 HSP90AA1 (0.52) HSP90AA1ESRRAALDH1A1ALOX15KDM4E
SCHEMBL12732654 0.84 MEN1 (0.54) ESRRAALDH1A1ALOX15KDM4ECYP1A2
SCHEMBL12733352 0.84 ESRRA (0.53) HSP90AA1ESRRAALDH1A1ALOX15KDM4E
SCHEMBL12733323 0.82 ESRRA (0.51) ESRRAALDH1A1ALOX15KDM4ECYP1A2
SCHEMBL12732725 0.81 ESRRA (0.56) HSP90AA1ESRRAALDH1A1ALOX15KDM4E
SCHEMBL12732623 0.81 LTA4H (0.53) ESRRAALDH1A1ALOX15KDM4ECYP1A2
SCHEMBL12732640 0.81 LTA4H (0.57) ESRRAALDH1A1ALOX15KDM4ECYP1A2
SCHEMBL12732650 0.81 ESRRA (0.46) ESRRAALDH1A1ALOX15KDM4ECYP1A2
SCHEMBL13048913 0.80 HSP90AA1 (0.52) HSP90AA1ALDH1A1MAPTHSD17B10TSHR

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 HSP90AA1 2533/4885ESRRA 2451/4885ALDH1A1 2140/4885

“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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