SCHEMBL4054752

SCHEMBL4054752

c1ccc(CCC2CN2)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.47
GBA2 Q9HCG7 1/20 0.47
SLC18A2 Q05940 1/20 0.44

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
SCHEMBL27529123 0.86 GLB1 (0.42) GLB1GBA2
SCHEMBL3817645 0.85 LTA4H (0.54) GLB1GBA2
SCHEMBL5556878 0.85 LTA4H (0.54) GLB1GBA2
Hydrochloric Acid SCHEMBL8500120 0.83 LTA4H (0.52) GLB1GBA2
SCHEMBL30751260 0.83 LTA4H (0.52) GLB1GBA2
SCHEMBL4817473 0.81 KDM4E (0.45) GLB1GBA2
Hydrochloric Acid SCHEMBL8501825 0.80 POLB (0.46)
SCHEMBL27674113 0.79 GLB1 (0.47) GLB1GBA2
SCHEMBL27526934 0.79 PLG (0.42) GLB1GBA2
SCHEMBL31714236 0.79 LTA4H (0.49) GLB1GBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852865-B2 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. (US) 2005-02-08 US claimed
US-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. 2003-08-28 US claimed
CN-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN disclosed
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed
EP-1461315-B1 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2009-07-29 EP disclosed
US-6852865-B2 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. (US) 2005-02-08 US disclosed
US-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. 2003-08-28 US disclosed
US-4941991-A SUBSTITUTED OR UNSUBSTITUTED POLYALKYLENEAMINE, SOLVENT, NEUTRALIZATION COMPOUND AND CROSSLINKING AGENT AGRO-K CORPORATION, A CORP. OF MN 1990-07-17 US disclosed
US-4206289-A SILOXANES CONTAINING ARYSILYTRIOXY AND TRIALKYLSILYLOXY GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1980-06-03 US disclosed
US-4107103-A POLYISOCYANATE, POLYOL, N-HYDROXYALKYLAMINOTRIAZINEPHOSPHONATE BAYER AKTIENGESELLSCHAFT (DE) 1978-08-15 US disclosed
US-RE29586-E POLYAZIRIDINYL ADDUCT, DICARBOXYLIC ACID ANHYDRIDE, POLYEPOXIDE THE DOW CHEMICAL COMPANY (US) 1978-03-21 US 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-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles LOX, CA9, LPO GLB1 689/4885GBA2 2733/4885SLC18A2 3505/4885

“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.