SCHEMBL20481916

SCHEMBL20481916

COc1cccc2c1B(O)OC2CCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LARS1 Q9P2J5 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ FFAR2 O15552 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ NR3C1 P04150 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ CA1 P00915 1/20 0.30

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
SCHEMBL12831366 0.82 LARS1 (0.60) LARS1HTR2AHTR2CHTR2B
SCHEMBL13035602 0.82 LARS1 (0.60) LARS1HTR2AHTR2CHTR2B
SCHEMBL16256484 0.82 LARS1 (0.47) LARS1ALDH1A1TP53KDM4ELMNA
Hydrochloric Acid SCHEMBL3446383 0.81 LARS1 (0.61) LARS1HTR2AHTR2CHTR2B
SCHEMBL20481966 0.81 LARS1 (0.41) LARS1LMNAALOX15
SCHEMBL20481923 0.80 LARS1 (0.43) LARS1ALDH1A1TP53KDM4ELMNA
SCHEMBL20481884 0.80 LARS1 (0.41) LARS1ALDH1A1TP53KDM4ELMNA
SCHEMBL20481959 0.77 LARS1 (0.43) LARS1ALDH1A1TP53KDM4ELMNA
SCHEMBL20482071 0.77 LARS1 (0.43) LARS1
SCHEMBL19519708 0.77 LARS1 (0.43) LARS1ALDH1A1TDP1TP53KDM4E

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-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-08-30 — — 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-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES CBR3, HCRTR2, HCAR3 LARS1 4143/4885ALDH1A1 1144/4885TDP1 3213/4885

“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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