SCHEMBL16097909

SCHEMBL16097909

O=Cc1ccc(OCc2ccccc2)c(O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
CCND1 P24385 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
ERN1 O75460 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LIPE Q05469 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43

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
SCHEMBL24379319 0.82 MAPT (0.55) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL24379165 0.82 CCNB2 (0.50) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL24140940 0.82 ERN1 (0.49) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL31683746 0.80 CCNB2 (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL986050 0.80 CCNB2 (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL8305004 0.80 CCNB2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3543787 0.80 ERN1 (0.47) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL20607869 0.79 ERN1 (0.54) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL768225 0.79 MAPT (0.66) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL19511898 0.79 ERN1 (0.56) CCNB2CDK1CDK4CCNB1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970339-B1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS LILLY CO ELI (US) 2017-08-16 EP disclosed
US-9617285-B2 1-hydroxy-benzooxaboroles as antiparasitic agents ELI LILLY AND COMPANY (US) 2017-04-11 US disclosed
EP-2970339-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS Eli Lilly and Company (US) 2016-01-20 EP disclosed
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2015-12-10 US disclosed
WO-2014149793-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2014-09-25 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-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS HAO1, CYP8B1, KMO CCNB2 3992/4885CDK1 3640/4885CDK4 4478/4885

“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.