SCHEMBL455338

SCHEMBL455338

COC(=O)c1cc(CBr)cc(CBr)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
XDH P47989 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
FUT7 Q11130 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LOXL2 Q9Y4K0 2/20 0.49
CYP4F2 P78329 3/20 0.47

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
SCHEMBL4652534 0.96 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL20154157 0.91 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL8886541 0.91 LOXL2 (0.58) CA12CA1CA2CA7CA9
SCHEMBL334559 0.89 SLC7A5 (0.59) CA12CA1CA2CA7CA9
SCHEMBL28864843 0.89 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL3602876 0.89 NOTUM (0.54) CA12CA1CA2CA7CA9
SCHEMBL1096840 0.87 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL31568418 0.87 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL29508489 0.87 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1401435 0.87 CA12 (0.44) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404236-B2 Non-peptidic cell-penetrating motifs OHIO STATE INNOVATION FOUNDATION (US) 2025-09-02 US disclosed
WO-2025082283-A1 LIGAND COMPOUND OF CYCLOPEPTIDE STRUCTURE, NUCLIDE MARKER THEREOF, PHARMACEUTICAL COMPOSITION, AND USE 四川科伦博泰生物医药股份有限公司 2025-04-24 WO disclosed
US-20250122226-A1 GLUCOSE-SENSITIVE ALBUMIN-BINDING DERIVATIVES NOVO NORDISK AS (DK) 2025-04-17 US disclosed
US-12227528-B2 Glucose-sensitive albumin-binding derivatives NOVO NORDISK A/S (DK) 2025-02-18 US disclosed
WO-2024199069-A1 POLYARYL-CONTAINING MACROCYCLIC COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2024-10-03 WO disclosed
CN-118724916-A Polyaryl-containing macrocyclic compounds and uses thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 CN disclosed
US-20240101509-A1 NON-PEPTIDIC CELL-PENETRATING MOTIFS OHIO STATE INNOVATION FOUNDATION 2024-03-28 US disclosed
US-11878046-B2 Di-sulfide containing cell penetrating peptides and methods of making and using thereof OHIO STATE INNOVATION FOUNDATION (US) 2024-01-23 US disclosed
US-11814341-B2 Non-peptidic cell-penetrating motifs OHIO STATE INNOVATION FOUNDATION (US) 2023-11-14 US disclosed
US-11814341-B2 Non-peptidic cell-penetrating motifs OHIO STATE INNOVATION FOUNDATION (US) 2023-11-14 US disclosed
WO-1995020590-A1 ENANTIOSELECTIVE RECEPTORS FOR AMINO ACID DERIVATIVES, AND OTHER COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-08-03 WO disclosed
US-5412148-A Amplifier molecules derived from diethylene triaminepentaacetic acid for enhancement of diagnosis and therapy THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1995-05-02 US disclosed
EP-0296749-B1 (Substituted aralkyl) heterocyclic compounds ZENECA LTD (GB) 1994-10-26 EP disclosed
US-5342934-A For resolution, purification THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1994-08-30 US disclosed
WO-1994003593-A1 AMPLIFIER MOLECULES FOR ENHANCEMENT OF DIAGNOSIS AND THERAPY THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1994-02-17 WO disclosed
WO-1994000455-A1 ENANTIOSELECTIVE RECEPTOR FOR AMINO ACID DERIVATIVES, AND OTHER COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1994-01-06 WO disclosed
US-5252317-A Amplifier molecules for diagnosis and therapy derived from 3,5-bis[1-(3-amino-2,2-bis (aminomethyl)-propyl) oxymethyl] benzoic acid THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1993-10-12 US disclosed
US-5135737-A Amplifier molecules for enhancement of diagnosis and therapy THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1992-08-04 US disclosed
US-4935437-A (Substituted aralkyl) heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-19 US disclosed
EP-0296749-A1 (Substituted aralkyl) heterocyclic compounds ZENECA LIMITED (GB) 1988-12-28 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 (6 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-12404236-B2 Non-peptidic cell-penetrating motifs TIMM50, TIMM10, PITRM1 CA12 4061/4885CA1 4323/4885CA2 4103/4885
US-20240101509-A1 NON-PEPTIDIC CELL-PENETRATING MOTIFS TIMM50, TIMM10, PITRM1 CA12 4061/4885CA1 4323/4885CA2 4103/4885
US-11878046-B2 Di-sulfide containing cell penetrating peptides and methods of making and using thereof IKBKE, IKBKB, SHARPIN CA12 4345/4885CA1 2710/4885CA2 4152/4885
US-12227528-B2 Glucose-sensitive albumin-binding derivatives ALB, DBI, FABP4 CA12 403/4885CA1 1665/4885CA2 1853/4885
US-11814341-B2 Non-peptidic cell-penetrating motifs TIMM50, TIMM10, PITRM1 CA12 4061/4885CA1 4323/4885CA2 4103/4885
US-20250122226-A1 GLUCOSE-SENSITIVE ALBUMIN-BINDING DERIVATIVES ALB, DBI, FABP4 CA12 403/4885CA1 1665/4885CA2 1853/4885

“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.