SCHEMBL7035573

SCHEMBL7035573

CC(C)([O])c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.41
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
KIF11 P52732 3/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
ITGA5 P08648 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRNA3 P32297 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH1 P35367 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL78619 0.81 HDAC4 (0.47) CYP19A1SCN5ASCN9AKIF11ALDH1A1
SCHEMBL29441583 0.81 HDAC4 (0.47) CYP19A1SCN5ASCN9AKIF11ALDH1A1
SCHEMBL8137247 0.81 ESR1 (0.50) CYP19A1SCN5ASCN9AKIF11ALDH1A1
Formaldehyde SCHEMBL27512785 0.80 HDAC4 (0.47) CYP19A1SCN5ASCN9AKIF11ALDH1A1
SCHEMBL12811806 0.79 ALDH1A1 (0.43) CYP19A1HSD11B1SCN5ASCN9AKIF11
SCHEMBL8633370 0.79 CYP19A1 (0.43) CYP19A1HSD11B1SCN5ASCN9AKIF11
SCHEMBL11469047 0.79 CYP19A1 (0.43) CYP19A1HSD11B1SCN5ASCN9AKIF11
SCHEMBL18242546 0.77 TSHR (0.44) KIF11TSHR
SCHEMBL1859294 0.77 KIF11 (0.44) CYP19A1SCN5ASCN9AKIF11ALDH1A1
SCHEMBL21791918 0.77 CYP19A1 (0.42) CYP19A1HSD11B1SCN5ASCN9AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP 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 (3 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 CYP19A1 289/4885HSD11B1 193/4885MGLL 1377/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CYP19A1 1303/4885HSD11B1 1223/4885MGLL 2557/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CYP19A1 1303/4885HSD11B1 1223/4885MGLL 2557/4885

“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.