SCHEMBL7189918

SCHEMBL7189918

CC(OC(N)=O)(c1ccc(O)cc1)c1ccc(O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
CYP3A4 P08684 3/20 0.36
LMNA P02545 2/20 0.36
TYR P14679 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
AR P10275 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
ESRRG P62508 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 5/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7188579 0.91 KMT2A (0.40) ESR1ESR2CYP3A4LMNATYR
SCHEMBL7187723 0.90 SRD5A2 (0.39) TYRTSHRALDH1A1CA12CA1
SCHEMBL7192743 0.89 ALDH5A1 (0.38) ESR1ESR2CYP3A4LMNATYR
SCHEMBL7536443 0.85 ALDH1A1 (0.42) ESR1ESR2CYP3A4LMNATYR
SCHEMBL7192758 0.78 TDP1 (0.39) TYRALDH1A1HTTCA12CA1
SCHEMBL7544207 0.77 ALDH5A1 (0.37) ESR1ESR2CYP3A4LMNATYR
SCHEMBL7187579 0.75 CA2 (0.33) CYP3A4LMNATYRHSD17B10TSHR
SCHEMBL7195388 0.75 MAPT (0.44) ESR1ESR2CYP3A4HSD17B10TSHR
SCHEMBL7197504 0.71 ALDH1A1 (0.38) HSD17B10TSHRHPGDALDH1A1
SCHEMBL246193 0.71 ESR1 (0.60) ESR1ESR2CYP3A4LMNATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 ESR1 4390/4885ESR2 4128/4885CYP3A4 1953/4885

“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.