SCHEMBL15514552

SCHEMBL15514552

CCCNC(=O)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL15514305 0.92 HTT (0.57) HTTALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL20022956 0.89 ALDH1A1 (0.56) HTTALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL20022961 0.89 ALDH1A1 (0.56) HTTALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL10832828 0.84 HTT (0.55) HTTALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL27805304 0.84 HTT (0.52) HTTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL733157 0.83 LMNA (0.71) HTTALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL13243336 0.83 HTT (0.57) HTTALDH1A1KMT2AL3MBTL1TDP1
Hydrochloric Acid SCHEMBL27543692 0.82 LMNA (0.69) HTTALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL20022955 0.81 HTT (0.55) HTTALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL5099176 0.80 HTT (0.58) HTTALDH1A1KMT2AL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 — — US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 — — EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 — — WO claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 — — US disclosed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 — — EP disclosed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 — — 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-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD HTT 3775/4885ALDH1A1 24/4885KMT2A 3258/4885

“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.

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