SCHEMBL7201515

SCHEMBL7201515

O=Cc1cc(C(=O)O)ccc1OOc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.50
DAPK1 P53355 1/20 0.48
PIM3 Q86V86 1/20 0.48
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
RAB9A P51151 4/20 0.44
GAA P10253 3/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
PGR P06401 1/20 0.41
PTGS1 P23219 1/20 0.41
FABP7 O15540 3/20 0.41
FABP3 P05413 3/20 0.41
FABP5 Q01469 3/20 0.41
ALOX5 P09917 2/20 0.40

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
SCHEMBL7190029 0.82 EGFR (0.42) MRGPRX4MEN1KMT2ARAB9AGAA
SCHEMBL7191092 0.82 TTR (0.55) MRGPRX4DAPK1PIM3MEN1KMT2A
SCHEMBL7188637 0.82 MRGPRX4 (0.53) MRGPRX4DAPK1PIM3MEN1KMT2A
SCHEMBL7542886 0.81 TTR (0.50) MRGPRX4MEN1KMT2ARAB9AGAA
SCHEMBL7196244 0.80 RAB9A (0.43) MEN1KMT2ARAB9AGAANPC1
SCHEMBL7195343 0.79 ALDH1A1 (0.50) MEN1KMT2ARAB9AGAAALDH1A1
SCHEMBL7542969 0.76 TTR (0.55) MEN1KMT2ARAB9AGAANPC1
SCHEMBL1987664 0.73 CA12 (0.67) RAB9AGAAALDH1A1KDM4ETDP1
SCHEMBL29956605 0.73 CA12 (0.67) RAB9AGAAALDH1A1KDM4ETDP1
SCHEMBL15153930 0.73 ALOX5 (0.64) MRGPRX4DAPK1PIM3MEN1KMT2A

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 MRGPRX4 2364/4885DAPK1 4454/4885PIM3 3270/4885

“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.