SCHEMBL4308054

SCHEMBL4308054

COc1ccc(Br)c(S)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ THRB P10828 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL19297783 0.90 ACHE (0.56) CA12CA1CA2CA7CA9
SCHEMBL8637755 0.84 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1134723 0.80 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL30250475 0.80 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL13066221 0.78 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL473959 0.77 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL30193796 0.77 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6449465 0.76 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL7110300 0.76 SLC6A4 (0.42) CA12CA1CA2CA7CA9
SCHEMBL440122 0.74 CA12 (0.62) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228514-A1 BORON-CONTAINING ORGANIC COMPOUND AND APPLICATIONS THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-07-11 — — US disclosed
US-20240228514-A1 BORON-CONTAINING ORGANIC COMPOUND AND APPLICATIONS THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-07-11 — — US disclosed
CN-114621270-B Condensed ring aromatic compound and application thereof in electroluminescent device 清华大学 2024-04-12 — — CN disclosed
CN-114621269-B Condensed ring aromatic compound and application thereof in electroluminescent device 清华大学 2024-04-09 — — CN disclosed
CN-114621269-A Fused aromatic compound and application thereof in electroluminescent device 清华大学 2022-06-14 — — CN disclosed
CN-114621270-A Fused aromatic compound and application thereof in electroluminescent device 清华大学 2022-06-14 — — CN disclosed
CN-109563120-A α -D-galactoside inhibitors of galectins 格莱克特生物技术公司 2019-04-02 — — CN disclosed
CN-107406478-A ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS 格莱克特生物技术公司 2017-11-28 — — CN disclosed
WO-2009136144-A1 PURINE DERIVATIVES SUITABLE FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES CHROMA THERAPEUTICS LTD (GB) 2009-11-12 — — WO disclosed
CN-1061052-C 11 Beta-aromatic group-4-estraene and acid additive salt application in medicine SCHERING AG (DE) 2001-01-24 — — CN disclosed
CN-1133296-A 11 beta-aromatic group-4-estraene and acid additive salt application in medicine SCHERING AG (DE) 1996-10-16 — — CN disclosed
EP-0404283-B1 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AG (DE) 1996-05-08 — — EP disclosed
US-5093507-A 10β,11β-bridged steroids SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-03 — — US disclosed
CN-1048219-A 11 beta-aryl-4-estrene pharmaceutical composition and process for preparing same SCHERING AG (DE) 1991-01-02 — — CN disclosed
EP-0404283-A2 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AKTIENGESELLSCHAFT (DE) 1990-12-27 — — EP disclosed
US-4900751-A 2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having antiflammatory or gastic acid secretion inhibition activity FISONS PLC (GB) 1990-02-13 — — US disclosed
EP-0347370-A2 10-Beta, 11-beta-bridged steroids SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-20 — — EP disclosed
EP-0283504-A1 COMPOUNDS FISONS plc (GB) 1988-09-28 — — EP disclosed
WO-1988002367-A1 COMPOUNDS FISONS PLC (GB) 1988-04-07 — — WO disclosed
EP-0262845-A1 Heterocyclic substituted azole derivatives FISONS plc (GB) 1988-04-06 — — 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-20240228514-A1 BORON-CONTAINING ORGANIC COMPOUND AND APPLICATIONS THEREOF BCL6, SLCO4C1, SLCO2B1 CA12 1770/4885CA1 2775/4885CA2 1453/4885

“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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