SCHEMBL93249

SCHEMBL93249

O=[C]OC1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 2/20 0.33
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 1/20 0.30

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
SCHEMBL2109556 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL93215 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL2109539 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL9431 1.00
SCHEMBL302897 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL2110868 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL93454 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL2108202 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL2109113 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE
SCHEMBL93204 1.00 CA1 (0.39) CA1CA2ALDH1A1EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114014878-B Conjugated alkenyl zinc reagent, preparation method and application thereof 南开大学 2024-06-07 CN claimed
CN-116535439-B Cyclopropane skeleton monophosphine ligand and palladium complex thereof, and preparation method and application thereof 南开大学 2024-05-28 CN claimed
CN-116535439-A Cyclopropane skeleton monophosphine ligand and palladium complex thereof, and preparation method and application thereof 南开大学 2023-08-04 CN claimed
WO-2023142725-A1 CYCLOPROPANE SKELETON MONOPHOSPHINE LIGAND AND PALLADIUM COMPLEX THEREOF AS WELL AS PREPARATION METHOD AND USE THEREOF 南开大学 2023-08-03 WO claimed
CN-116003462-A Silicon-based substituted chiral amine and preparation method and application thereof 南开大学 2023-04-25 CN claimed
CN-115850328-A Diphosphine ligand with cyclopropane skeleton and cobalt complex thereof, preparation method and application 南开大学 2023-03-28 CN claimed
US-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof UNIV JINAN (CN) 2022-05-26 US claimed
CN-114249725-A Preparation method and application of 2-imine-9-aryl substituted phenanthroline and iron complex thereof 南开大学 2022-03-29 CN claimed
CN-114014878-A Novel conjugated alkenyl zinc reagent, preparation method and application thereof 南开大学 2022-02-08 CN claimed
CN-114014879-A Optically active biaryl borane adduct and preparation method and application thereof 南开大学 2022-02-08 CN claimed
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2002-01-17 US claimed
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2001-11-29 US claimed
WO-2001079167-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 WO claimed
WO-2001040189-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 WO claimed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US 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 (3 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-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof FHIT, BCAT1, BCAT2 CA1 3841/4885CA2 4394/4885ALDH1A1 454/4885
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis RNASE1, SERPINB1, RNASEH1 CA1 1893/4885CA2 2829/4885ALDH1A1 3180/4885
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SERPINB1 CA1 2012/4885CA2 2829/4885ALDH1A1 3708/4885

“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.