SCHEMBL1134723

SCHEMBL1134723

COc1ccc(Br)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA7 P43166 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ CA12 O43570 2/20 0.53
▸ CA14 Q9ULX7 2/20 0.53
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ACHE P22303 2/20 0.43
▸ THRB P10828 2/20 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
SCHEMBL30250475 1.00 CA1 (0.53) CA1CA2CA7CA9CA12
SCHEMBL23202512 0.85 ALDH1A1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL6449465 0.84 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL167090 0.82 CA12 (0.62) CA1CA2CA7CA9CA12
SCHEMBL30294336 0.82 MAPT (0.54) CA1CA2CA7CA9CA12
SCHEMBL14127541 0.82 CA12 (0.62) CA1CA2CA7CA9CA12
SCHEMBL838442 0.82 MAPT (0.54) CA1CA2CA7CA9CA12
SCHEMBL29558143 0.82 CA12 (0.62) CA1CA2CA7CA9CA12
SCHEMBL12325065 0.81 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL2803033 0.80 CA12 (0.43) CA1CA2CA7CA9CA12

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747976-B Metal complex and preparation method and application thereof 万华化学(四川)有限公司 2023-07-14 — — CN claimed
CN-110981702-B Efficient synthesis method of 2, 3-dibromophenol or derivatives thereof 上海应用技术大学 2022-10-14 — — CN claimed
CN-111747976-A Metal complex and preparation method and application thereof 万华化学集团股份有限公司 2020-10-09 — — CN claimed
CN-110981702-A Efficient synthesis method of 2, 3-dibromophenol or derivatives thereof 上海应用技术大学 2020-04-10 — — CN claimed
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 — — EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 — — EP disclosed
CN-111747976-B Metal complex and preparation method and application thereof 万华化学(四川)有限公司 2023-07-14 — — CN disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 — — CN disclosed
CN-110981702-B Efficient synthesis method of 2, 3-dibromophenol or derivatives thereof 上海应用技术大学 2022-10-14 — — CN disclosed
EP-0365678-B1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES (JP) 1994-01-05 — — EP disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 — — EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 — — US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 — — EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 — — EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 — — EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 — — US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 — — EP 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-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC CA1 4337/4885CA2 4501/4885CA7 4578/4885

“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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