SCHEMBL7189968

SCHEMBL7189968

N=C(c1ccccc1O)c1c(O)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.48
CYP1A2 P05177 2/20 0.47
POLB P06746 2/20 0.46
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
PAK1 Q13153 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
RRM1 P23921 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ERN1 O75460 1/20 0.42
MAOB P27338 1/20 0.40
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 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
Salicylic Acid SCHEMBL17712461 0.77 ALDH1A1 (0.60) PTPN22CYP1A2HSD17B10CYP2C19ABCG2
SCHEMBL9130593 0.75 HPGD (0.52) CYP1A2POLBHSD17B10ALDH1A1GAA
SCHEMBL16784688 0.75 PTPN22 (0.54) PTPN22CYP1A2POLBHSD17B10USP2
SCHEMBL3302790 0.75 PTPN22 (0.54) PTPN22CYP1A2POLBHSD17B10USP2
SCHEMBL7195480 0.73 MEN1 (0.52) PTPN22CYP1A2POLBHSD17B10CYP2C19
SCHEMBL8346552 0.73 HPGD (0.50) CYP1A2POLBHSD17B10ALDH1A1GAA
SCHEMBL10943995 0.72 PTPN22 (0.56) PTPN22CYP1A2POLBHSD17B10USP2
SCHEMBL4139654 0.72 ABCG2 (0.57) PTPN22CYP1A2POLBHSD17B10USP2
SCHEMBL29376732 0.71 ALDH1A1 (0.61) PTPN22CYP1A2POLBHSD17B10USP2
SCHEMBL4268 0.71 ALDH1A1 (0.61) PTPN22CYP1A2POLBHSD17B10USP2

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 PTPN22 3418/4885CYP1A2 1275/4885POLB 3165/4885

“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.