SCHEMBL7190027

SCHEMBL7190027

CCCCOS(=O)(=O)c1ccc(O)cc1S(=O)(=O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ESR1 P03372 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 2/20 0.41
NR5A1 Q13285 1/20 0.41

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
SCHEMBL7191784 0.94 MEN1 (0.43) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL8459792 0.88 ALDH1A1 (0.44) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL8655098 0.83 HPGD (0.47) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL11305384 0.82 LMNA (0.46) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL7190008 0.79 CA2 (0.47) ALDH1A1L3MBTL1TSHRCYP1A2CYP2C19
SCHEMBL29415366 0.79 CA2 (0.47) ALDH1A1L3MBTL1TSHRCYP1A2CYP2C19
SCHEMBL2347168 0.79 ALDH1A1 (0.43) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL11385199 0.79 ALDH1A1 (0.43) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL28381254 0.79 LMNA (0.51) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL7539050 0.78 ALDH1A1 (0.39) MAPTALDH1A1GAAL3MBTL1TSHR

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 MEN1 3828/4885MAPT 3240/4885KMT2A 3439/4885

“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.