SCHEMBL129781

SCHEMBL129781

COc1c(Br)ccc(C=O)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
PRKDC P78527 1/20 0.47
NQO2 P16083 1/20 0.44
ERN1 O75460 6/20 0.42
ALDH1A1 P00352 3/20 0.41
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
MCL1 Q07820 1/20 0.40
CA4 P22748 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SRC P12931 1/20 0.38
TUBB1 Q9H4B7 3/20 0.37
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL29729025 0.87 CA1 (0.59) CA2CA1PRKDCERN1ALDH1A1
SCHEMBL3345839 0.87 CA1 (0.59) CA2CA1PRKDCERN1ALDH1A1
SCHEMBL23706024 0.86 PRKDC (0.46) CA2CA1PRKDCNQO2ERN1
SCHEMBL16616063 0.82 CA1 (0.44) CA2CA1PRKDCNQO2ERN1
SCHEMBL22231418 0.82 ERN1 (0.54) CA2CA1PRKDCERN1TRIM24
SCHEMBL8007892 0.82 ERN1 (0.50) CA2CA1PRKDCNQO2ERN1
SCHEMBL4477951 0.82 PRKDC (0.43) CA2CA1PRKDCNQO2ERN1
SCHEMBL1293351 0.82 CA1 (0.61) CA2CA1PRKDCNQO2ERN1
SCHEMBL127769 0.79 CA2 (0.55) CA2CA1NQO2ALDH1A1CA4
SCHEMBL31280648 0.77 CYP2A6 (0.41) CA2CA1PRKDCNQO2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119841821-A Method for efficiently synthesizing berberine hydrochloride by adopting solid resin catalyst 烟台舜康生物科技有限公司 2025-04-18 CN claimed
CN-119841821-A Method for efficiently synthesizing berberine hydrochloride by adopting solid resin catalyst 烟台舜康生物科技有限公司 2025-04-18 CN disclosed
CN-113735847-B Synthetic preparation method of berberine hydrochloride 四川大学 2022-06-07 CN disclosed
CN-113735847-A Synthetic preparation method of berberine hydrochloride 四川大学 2021-12-03 CN disclosed
CN-108484593-A A kind of synthetic method of fibrauretine 常州大学 2018-09-04 CN disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 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 (3 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 CA2 3868/4885CA1 4698/4885PRKDC 2949/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA2 1379/4885CA1 3802/4885PRKDC 2292/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA2 1626/4885CA1 4003/4885PRKDC 1955/4885

“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.