SCHEMBL3450078

SCHEMBL3450078

CC(C)(C)OC(=O)N1c2cc(Br)ccc2CC1(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.39
USP30 Q70CQ3 2/20 0.35
ESR2 Q92731 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
BUB1 O43683 1/20 0.34
NR1H2 P55055 1/20 0.34
BACE1 P56817 4/20 0.34
HDAC1 Q13547 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RBP4 P02753 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ESRRB O95718 1/20 0.32
ESR1 P03372 1/20 0.32
ESRRA P11474 1/20 0.32

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
SCHEMBL22091235 0.85 NR1H2 (0.47) USP30ESR2BUB1NR1H2HDAC1
SCHEMBL29500495 0.82 BCHE (0.43) RORCBUB1GPR119KDM1A
SCHEMBL3448269 0.74 RBP4 (0.36) RORCUSP30CCNB2CDK1CCNB1
SCHEMBL17252099 0.73 KDM1A (0.41) RORCUSP30ESR2CCNB2CDK1
SCHEMBL17099543 0.71 NPC1 (0.36) HDAC1NPC1RAB9AABHD6
SCHEMBL29507117 0.70 CHRM4 (0.51) ESR2NR1H2ABHD6GPR119KDM1A
SCHEMBL595638 0.70 CHRM4 (0.51) ESR2NR1H2ABHD6GPR119KDM1A
SCHEMBL12280059 0.70 ABHD6 (0.41) RORCUSP30ESR2CCNB2CDK1
SCHEMBL1223840 0.69 BCHE (0.40) RORCUSP30ESR2CCNB2CDK1
SCHEMBL31219773 0.69 BCHE (0.40) RORCUSP30ESR2CCNB2CDK1

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD RORC 321/4885USP30 3679/4885ESR2 2605/4885

“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.