SCHEMBL7098148

SCHEMBL7098148

COC(=O)C(C)c1ccc(Br)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.55
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNB2 P17787 1/20 0.47
SLC6A2 P23975 1/20 0.47
CHRNB4 P30926 1/20 0.47
SLC6A4 P31645 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CHRND Q07001 1/20 0.47
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL850725 0.85 ALDH1A1 (0.45) MT-CO2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7948399 0.84 MT-CO2 (0.59) MT-CO2PTGS1PTGS2HPGDTDP1
SCHEMBL27463420 0.83 APP (0.49) MT-CO2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL28791672 0.82 CHRNA1 (0.44) MT-CO2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL17891802 0.82 MT-CO2 (0.47) MT-CO2PTGS1PTGS2SLC6A2SLC6A4
SCHEMBL8321208 0.82 MT-CO2 (0.47) MT-CO2PTGS1PTGS2MAPTHPGD
SCHEMBL5485178 0.82 ALDH1A1 (0.43) MT-CO2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1679001 0.81 AKR1C3 (0.53) PTGS1PTGS2AKR1C3AKR1C2KMT2A
SCHEMBL31614294 0.80 MT-CO2 (0.55) MT-CO2PTGS1PTGS2HPGDTDP1
SCHEMBL27640937 0.80 MT-CO2 (0.55) MT-CO2PTGS1PTGS2HPGDTDP1

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-20030096806-A1 Arylphenyl-substituted cyclic ketoenols LIEB FOLKER (DE) 2003-05-22 US disclosed
US-6451843-B1 Arylphenyl-substituted cyclic keto enols BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 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-20030096806-A1 Arylphenyl-substituted cyclic ketoenols KCNE1, KCNQ3, SULT1E1 MT-CO2 646/4885PTGS1 498/4885PTGS2 802/4885

“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.