SCHEMBL7536331

SCHEMBL7536331

CCCCOC(=O)c1cc(O)ccc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ESR1 P03372 4/20 0.56
MAPK1 P28482 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
CYP2D6 P10635 1/20 0.56
NR1H2 P55055 1/20 0.56
RNASEL Q05823 1/20 0.56
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53

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
SCHEMBL7540819 0.94 TSHR (0.67) TSHRL3MBTL1TDP1ESR1MAPK1
SCHEMBL28503735 0.88 TSHR (0.69) TSHRL3MBTL1TDP1ESR1MAPK1
SCHEMBL5157430 0.88 TSHR (0.69) TSHRL3MBTL1TDP1ESR1MAPK1
SCHEMBL819068 0.85 ALDH1A1 (0.67) TSHRL3MBTL1TDP1ESR1MAPK1
SCHEMBL10569979 0.84 ALDH1A1 (0.65) TSHRL3MBTL1TDP1ESR1MAPK1
SCHEMBL9617126 0.83 SERPINE1 (0.75) TSHRL3MBTL1TDP1ESR1MAPK1
SCHEMBL3063884 0.83 CA12 (0.71) TSHRL3MBTL1TDP1ESR1MAPK1
SCHEMBL30456970 0.83 CA12 (0.71) TSHRL3MBTL1TDP1ESR1MAPK1
SCHEMBL18489560 0.83 TSHR (0.65) TSHRL3MBTL1TDP1ESR1MAPK1
Dibutyl Phthalate SCHEMBL8088401 0.83 TSHR (0.86) TSHRL3MBTL1TDP1MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US 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 TSHR 4831/4885L3MBTL1 80/4885TDP1 3063/4885

“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.