SCHEMBL18360488

SCHEMBL18360488

O=C(NCc1ccccc1OC(F)(F)F)c1cc2c(cc1F)COB2O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.45
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
HSD17B13 Q7Z5P4 2/20 0.42
EPHX2 P34913 9/20 0.42
ROCK1 Q13464 1/20 0.41
PPARG P37231 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL18360520 0.90 HSD17B13 (0.49) ROCK2BRD4CREBBPHSD17B13EPHX2
SCHEMBL18360506 0.87 ROCK2 (0.56) ROCK2HSD17B13EPHX2ROCK1PPARG
SCHEMBL18360523 0.86 HPGD (0.48) ROCK2CA12CA1CA2CA9
SCHEMBL18354779 0.85 PTGES (0.47) ROCK2EPHX2CA12CA1CA2
SCHEMBL18360483 0.80 CA1 (0.60) PPARGCA12CA1CA2CA9
SCHEMBL18360474 0.77 HPGD (0.48) ROCK2PPARGCA12CA1CA2
SCHEMBL18360471 0.77 PDE4A (0.52) ROCK2ROCK1CA12CA1CA2
SCHEMBL18360407 0.76 CA1 (0.62) CA1CA2
SCHEMBL18354519 0.75 PTGES (0.47) ROCK2HSD17B13EPHX2PPARGCA12
SCHEMBL18360531 0.75 CA1 (0.41) CA12CA1CA2CA9

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-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 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-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 ROCK2 3780/4885BRD4 1635/4885CREBBP 2888/4885

“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.