SCHEMBL2113602

SCHEMBL2113602

O=C(O)c1c(Br)c(O)cc(O)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA12 O43570 5/20 0.44
CA7 P43166 5/20 0.44
CA9 Q16790 5/20 0.44
CA14 Q9ULX7 5/20 0.44
CYP3A4 P08684 2/20 0.41
ACHE P22303 1/20 0.41
TTR P02766 1/20 0.41
GPR35 Q9HC97 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DPP4 P27487 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CA3 P07451 1/20 0.39

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
SCHEMBL4387282 0.78 PRNP (0.42) CA1CA2CA12CA7CA9
SCHEMBL7529954 0.76 CYP1A2 (0.40) CA1CA2CA12CA7CA9
SCHEMBL1035933 0.76 CYP1A2 (0.47) CA1CA2CA12CA7CA9
SCHEMBL2579070 0.76 TTR (0.42) CA1CA2CA12CA7CA9
SCHEMBL28062208 0.75 CYP3A4 (0.52) CA1CA2CA12CA7CA9
SCHEMBL28146524 0.74 MEN1 (0.63) CA1CA2CA12CA7CA9
SCHEMBL289536 0.74 CA12 (0.64) CA1CA2CA12CA7CA9
SCHEMBL15523819 0.74 CA1 (0.50) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL11052779 0.74 CYP1A2 (0.38) CA1CA2CA12CA7CA9
SCHEMBL588970 0.74 CYP1A2 (0.45) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112973448-B Composite reverse osmosis membrane with chlorine resistance body, preparation method and application thereof 南京理工大学 2022-06-10 CN disclosed
CN-112973449-B Polyester composite reverse osmosis membrane with chlorine resistance as body and preparation method and application thereof 南京理工大学 2022-06-10 CN disclosed
CN-112973448-A Composite reverse osmosis membrane with chlorine resistance body, preparation method and application thereof 南京理工大学 2021-06-18 CN disclosed
CN-112973449-A Polyester composite reverse osmosis membrane with chlorine resistance and preparation method and application thereof 南京理工大学 2021-06-18 CN disclosed
CN-101687886-B Seven-membered ring compound and pharmaceutical application thereof in preventing and treating diabetes and metabolic syndrome SHANGHAI INST MATERIA MEDICA 2012-11-07 CN disclosed
US-8158623-B2 Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-04-17 US disclosed
US-8158623-B2 Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-04-17 US disclosed
US-8158623-B2 Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-04-17 US disclosed
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE 2010-07-08 US disclosed
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE 2010-07-08 US disclosed
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE 2010-07-08 US disclosed
EP-2199295-A1 COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2010-06-23 EP disclosed
EP-2199295-A1 COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2010-06-23 EP disclosed
US-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents MALLINCKRODT INC. 2010-03-04 US disclosed
US-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents MALLINCKRODT INC. 2010-03-04 US disclosed
WO-2008060399-A2 X-RAY CONTRAST AGENTS COMPRISING A METAL CHELATE AND A POLYHALOGENATED PHENOL, THIOPHENOL, RESORCINOL, THIORESORCINOL OR DITHIORESORCINOL MALLINCKRODT INC. (US) 2008-05-22 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 (2 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-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME GPR119, CYP11B1, HSD11B1 CA1 4162/4885CA2 3220/4885CA12 3301/4885
US-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents SLC39A3, ZNF277, TPR CA1 1452/4885CA2 1342/4885CA12 843/4885

“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.