SCHEMBL178454

SCHEMBL178454

COc1ccc(OC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA12 O43570 1/20 0.61
CA14 Q9ULX7 1/20 0.61
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
ALDH1A3 P47895 1/20 0.54
KMT2A Q03164 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
PARP10 Q53GL7 1/20 0.50
ACHE P22303 1/20 0.50
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 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
SCHEMBL21202067 0.93 ESR2 (0.54) CA1CA2CA7CA9CA12
SCHEMBL23917764 0.93 LTA4H (0.56) CA1CA2CA7CA9CA12
SCHEMBL125543 0.88 ALDH1A3 (0.64) ALDH1A1LMNAALDH1A3KMT2APARP10
Anisole SCHEMBL28836834 0.87 CA4 (0.67) CA1CA2CA7CA9CA12
SCHEMBL22507191 0.87 ACACB (0.53) CA1CA2CA7CA9CA12
SCHEMBL23917965 0.87 PTGIR (0.50) CA1CA2CA7CA9CA12
SCHEMBL12552792 0.85 ALDH1A1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL21423323 0.85 CYP1A2 (0.47) CA1CA2CA7CA9CA12
SCHEMBL5512005 0.83 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL9054589 0.83 PKM (0.73) CA1CA2ALDH1A3TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP claimed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US claimed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP claimed
US-12037453-B2 Aromatic polyethers containing a biosourced furan diol ROQUETTE FRERES (FR) 2024-07-16 US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-20210317265-A1 AROMATIC POLYETHERS CONTAINING A BIOSOURCED FURAN DIOL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-10-14 US disclosed
US-10752626-B2 Iso-citrate dehydrogenase (IDH) inhibitor SHANGHAI METON PHARMACEUTICAL CO., LTD (CN) 2020-08-25 US disclosed
US-20190256511-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2019-08-22 US disclosed
US-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 US disclosed
CN-109843968-A Resin composition for fiber-reinforced composite material and fiber-reinforced composite material using same 日铁化学材料株式会社 2019-06-04 CN 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
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 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-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
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
US-4698338-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1987-10-06 US disclosed
EP-0233780-A2 O-substituted oximino cephalosporins ELI LILLY AND COMPANY (US) 1987-08-26 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 (4 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy EGFR, ABL1, CSNK1A1 CA1 2885/4885CA2 397/4885CA7 535/4885
US-20190256511-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR IDH3A, IDH2, IDH1 CA1 932/4885CA2 302/4885CA7 696/4885
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 CA1 3763/4885CA2 4265/4885CA7 4159/4885
US-10752626-B2 Iso-citrate dehydrogenase (IDH) inhibitor IDH3A, IDH2, IDH1 CA1 932/4885CA2 302/4885CA7 696/4885

“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.