SCHEMBL154753

SCHEMBL154753

O=c1ccc2c[c]ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.52
CA9 Q16790 8/20 0.52
MCL1 Q07820 5/20 0.52
CA1 P00915 4/20 0.52
CA3 P07451 4/20 0.52
CA4 P22748 4/20 0.52
CA6 P23280 4/20 0.52
CA5A P35218 4/20 0.52
CA7 P43166 4/20 0.52
CA14 Q9ULX7 4/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CA2 P00918 3/20 0.52
CA5B Q9Y2D0 3/20 0.52
SOST Q9BQB4 1/20 0.52
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 5/20 0.43
HPGD P15428 4/20 0.43
CYP3A4 P08684 3/20 0.43
MEN1 O00255 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
SCHEMBL158062 0.83 CA12 (0.52) CA12CA9MCL1CA1CA3
SCHEMBL12612153 0.73
Coumarin SCHEMBL6920202 0.71 CA12 (0.95) CA12CA9MCL1CA1CA3
Coumarin SCHEMBL2533286 0.71 CA12 (0.95) CA12CA9MCL1CA1CA3
Coumarin SCHEMBL30641021 0.71 CA12 (0.95) CA12CA9MCL1CA1CA3
Coumarin SCHEMBL5996993 0.70 CA12 (0.91) CA12CA9MCL1CA1CA3
SCHEMBL1091047 0.69 CA12 (0.37) CA12CA9CA1CA2ALDH1A1
SCHEMBL1091133 0.69 MAOB (0.56) CA12CA9CA1CA3CA4
Coumarin SCHEMBL3441294 0.69 CA12 (1.00) CA12CA9MCL1CA1CA3
Coumarin SCHEMBL28886137 0.69 CA12 (1.00) CA12CA9MCL1CA1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024071364-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2024-04-04 WO claimed
WO-2024058164-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2024-03-21 WO claimed
CN-117677669-A Polymer composition and single layer phase difference material 日产化学株式会社 2024-03-08 CN claimed
WO-2024038887-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2024-02-22 WO claimed
US-11899316-B2 Terahertz wave control element NAGAOKA UNIVERSITY OF TECHNOLOGY (JP) 2024-02-13 US claimed
WO-2023171757-A1 POLYMER COMPOSITION, SINGLE LAYER PHASE DIFFERENCE MATERIAL, AND LIQUID CRYSTAL ALIGNMENT AGENT 日産化学株式会社 2023-09-14 WO claimed
CN-116601191-A Method for producing single-layer retardation film, and polymer composition for forming single-layer retardation film 日产化学株式会社 2023-08-15 CN claimed
US-20230093066-A1 TERAHERTZ WAVE CONTROL ELEMENT NAGAOKA UNIVERSITY OF TECHNOLOGY (JP) 2023-03-23 US claimed
WO-2023033873-A1 COLORED DIELECTRIC POLYMER MATERIALS AND DEVICES USING THEM FLEXTERRA, INC. (US) 2023-03-09 WO claimed
US-20230069886-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2023-03-09 US claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
EP-0752813-A4 INHIBITORS OF METAZOAN PARASITE PROTEASES UNIV CALIFORNIA (US) 1997-08-20 EP claimed
US-5610192-A Inhibitors of metazoan parasite proteases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-11 US claimed
EP-0752813-A1 INHIBITORS OF METAZOAN PARASITE PROTEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-01-15 EP claimed
WO-1996029329-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-26 WO claimed
JP-H08502048-A 1996-03-05 JP claimed
WO-1994006280-A1 INHIBITORS OF METAZOAN PARASITE PROTEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-31 WO claimed
EP-0281012-B1 4-CHLORO-OXAZOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-11 EP claimed
US-4892799-A PHOTOCONDUCTIVITY, ELECTROGRAPHY HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-09 US claimed
EP-0281012-A1 4-Chloro-oxazole derivatives, method for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-07 EP claimed

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-20230069886-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE PDIA3, PDIA5, PDIA6 CA12 3632/4885CA9 3295/4885MCL1 925/4885

“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.