SCHEMBL20481923

SCHEMBL20481923

COc1cccc2c1B(O)OC2CC(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LARS1 Q9P2J5 4/20 0.43
▸ HTR2C P28335 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 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
▸ HTR2A P28223 1/20 0.31
▸ HTR2B P41595 1/20 0.31

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 0.83 LARS1 (0.60) LARS1HTR2CHTR2AHTR2B
SCHEMBL16256484 0.83 LARS1 (0.47) LARS1KDM4EALDH1A1LMNATP53
SCHEMBL13035602 0.83 LARS1 (0.60) LARS1HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL3446383 0.82 LARS1 (0.61) LARS1HTR2CHTR2AHTR2B
SCHEMBL20481916 0.80 LARS1 (0.42) LARS1HTR2CKDM4EALDH1A1LMNA
SCHEMBL20482071 0.78 LARS1 (0.43) LARS1
SCHEMBL20481959 0.78 LARS1 (0.43) LARS1KDM4EALDH1A1LMNATP53
SCHEMBL19519708 0.78 LARS1 (0.43) LARS1HTR2CKDM4EALDH1A1LMNA
SCHEMBL3446061 0.76 LARS1 (0.41) LARS1KDM4EALDH1A1LMNATP53
SCHEMBL20481966 0.76 LARS1 (0.41) LARS1HTR1ALMNAALOX15

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 4143/4885HTR2C 251/4885HTR1A 977/4885

“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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