SCHEMBL16982005

SCHEMBL16982005

CCOC(=O)c1ccc(CCC(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAOA P21397 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
PTPN1 P18031 1/20 0.49
HPGD P15428 4/20 0.49
HTT P42858 3/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL5962512 0.87 SMN1; SMN2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL27941680 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
Bromide SCHEMBL21175020 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL12199135 0.86 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL7763636 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL21175019 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL9425859 0.83 ACACB (0.47) CA12CA1CA2CA7CA9
SCHEMBL571300 0.83 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL8293519 0.83 CYP4A11 (0.62) CA12CA1CA2CA7CA9
SCHEMBL10521826 0.83 CA12 (0.51) CA12CA1CA2CA7CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118909169-A Solid catalyst component for olefin polymerization reaction, preparation method and application thereof 中国石油化工股份有限公司 2024-11-08 CN claimed
CN-118909168-A Catalyst system for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2024-11-08 CN disclosed
CN-118909169-A Solid catalyst component for olefin polymerization reaction, preparation method and application thereof 中国石油化工股份有限公司 2024-11-08 CN disclosed
CN-118909170-A Catalyst system for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2024-11-08 CN disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 CA12 4515/4885CA1 3378/4885CA2 1196/4885

“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.