SCHEMBL12733294

SCHEMBL12733294

CC(C)(C)c1ccc(Oc2ccc(O)c(O)c2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 5/20 0.48
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
MIF P14174 1/20 0.43
TYR P14679 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
ATM Q13315 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL12733304 0.90 ESRRA (0.44) ESRRAALDH1A1GAAALOX15HSD17B10
SCHEMBL12732594 0.88 HSP90AA1 (0.47) ESRRAALDH1A1GAAALOX15HSD17B10
SCHEMBL12732551 0.88 LTA4H (0.50) ESRRAALDH1A1GAAALOX15HSD17B10
SCHEMBL12733279 0.87 ESRRA (0.42) ESRRAALDH1A1GAAALOX15HSD17B10
SCHEMBL12733352 0.86 ESRRA (0.53) ESRRAALDH1A1GAAALOX15HSD17B10
SCHEMBL12732548 0.86 ESRRA (0.41) ESRRAALDH1A1GAAALOX15HSD17B10
SCHEMBL12732554 0.85 CYP3A4 (0.45) ESRRAALDH1A1GAAALOX15HSD17B10
SCHEMBL12732581 0.84 ESRRA (0.50) ESRRAALDH1A1GAAALOX15HSD17B10
SCHEMBL12732798 0.81 ESRRA (0.45) ESRRAALDH1A1GAAALOX15HSD17B10
SCHEMBL12732574 0.81 MAPT (0.44) ESRRAALDH1A1LMNACYP2C9HPGD

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 ESRRA 2451/4885ALDH1A1 2140/4885GAA 291/4885

“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.