SCHEMBL17240293

SCHEMBL17240293

O=[C]c1cccc2c1CCO2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
SLC9A1 P19634 3/20 0.38
MTNR1B P49286 12/20 0.37
SLC9A5 Q14940 1/20 0.36
SLC9A2 Q9UBY0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 10/20 0.35
LMNA P02545 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL95880 0.89 MTNR1A (0.36) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL14304553 0.82 ITGB2 (0.39) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL97610 0.74 KDM4E (0.45) ITGB2ICAM1ITGALMTNR1ALMNA
SCHEMBL7701503 0.74 MTNR1B (0.39) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL5543467 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL21224311 0.72 ITGB2 (0.37) ITGB2ICAM1ITGALMTNR1BKMT2A
SCHEMBL30289551 0.72 ITGB2 (0.37) ITGB2ICAM1ITGALMTNR1BKMT2A
SCHEMBL29386706 0.71 KDM4E (0.41) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL6187776 0.71 KDM4E (0.41) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL8081108 0.69 MAP3K14 (0.47) ITGB2ICAM1ITGALSLC9A1MTNR1B

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 2 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 disclosed
CN-104780761-A Use of substituted 2, 3-dihydro-1-benzofuran-4-carboxylic acids or salts thereof as active substances against abiotic plant stress BAYER CROPSCIENCE AG 2015-07-15 CN 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 ITGB2 4864/4885ICAM1 4719/4885ITGAL 4868/4885

“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.