SCHEMBL12733355

SCHEMBL12733355

CC(C)(C)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.50
SLC6A4 P31645 16/20 0.50
KCNH2 Q12809 14/20 0.50
CYP2C19 P33261 1/20 0.48
HSP90AA1 P07900 1/20 0.46
ESRRA P11474 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL11435437 0.88 CYP2C19 (0.51) CYP2C19ESRRA
SCHEMBL12732664 0.85 CYP2C19 (0.49) HTR2ASLC6A4KCNH2CYP2C19ESRRA
SCHEMBL12732707 0.84 CA12 (0.47) HTR2ASLC6A4KCNH2CYP2C19ESRRA
SCHEMBL22904762 0.82 CYP2C19 (0.47) HTR2ASLC6A4KCNH2CYP2C19ESRRA
SCHEMBL12851651 0.81 MRGPRX4 (0.48) HTR2ASLC6A4KCNH2CYP2C19ESRRA
SCHEMBL799541 0.80 TSHR (0.61) CYP2C19
SCHEMBL12733516 0.79 ESRRA (0.47) CYP2C19HSP90AA1ESRRASLC6A2SLC6A3
SCHEMBL12937232 0.79 FFAR1 (0.58) HTR2ASLC6A4KCNH2CYP2C19
SCHEMBL21652325 0.78 FFAR1 (0.49) HTR2ASLC6A4KCNH2CYP2C19HSP90AA1
SCHEMBL12851586 0.77 CYP2C19 (0.46) CYP2C19ESRRA

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 HTR2A 4207/4885SLC6A4 2653/4885KCNH2 106/4885

“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.