SCHEMBL3041307

SCHEMBL3041307

CC(C)CCCCOC=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
RARB P10826 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
BLM P54132 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
SCHEMBL3040228 0.98 LMNA (0.39) LMNARARBALDH1A1HIF1AEPAS1
SCHEMBL30052986 0.98 LMNA (0.39) LMNARARBALDH1A1HIF1AEPAS1
SCHEMBL3030885 0.98 LMNA (0.39) LMNARARBALDH1A1HIF1AEPAS1
SCHEMBL28390578 0.98 LMNA (0.39) LMNARARBALDH1A1HIF1AEPAS1
SCHEMBL8811513 0.98 LMNA (0.39) LMNARARBALDH1A1HIF1AEPAS1
SCHEMBL30909503 0.98 LMNA (0.39) LMNARARBALDH1A1HIF1AEPAS1
SCHEMBL8813040 0.98 LMNA (0.39) LMNARARBALDH1A1HIF1AEPAS1
SCHEMBL3031777 0.98 LMNA (0.39) LMNARARBALDH1A1HIF1AEPAS1
SCHEMBL93213 0.93
Benzene SCHEMBL28158350 0.92 RARB (0.38) LMNARARBALDH1A1HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216736-A2 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
EP-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound MATSUDA, AKIRA (JP) 2010-03-04 US disclosed
EP-2045256-A1 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2009-04-08 EP disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 EP disclosed
US-5741816-A CARNITINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 1998-04-21 US disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
US-5661106-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-08-26 US disclosed
US-5185027-A Salicylaldehyde derivatives and salicyclic acid derivatives and their sulfur analogs, and their use as herbicides and bioregulators BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
EP-0490224-A2 Derivatives of salicylic aldehyde and salicylic acid, sulfphuranalogs thereof, process and intermediates for their preparation BASF Aktiengesellschaft (DE) 1992-06-17 EP disclosed
EP-0490060-A1 Salicylic acid derivatives BASF Aktiengesellschaft (DE) 1992-06-17 EP disclosed
EP-0479055-A1 Benzaldoximether derivatives BASF Aktiengesellschaft (DE) 1992-04-08 EP disclosed
US-5100458-A Pyrimidine substituted, plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-5085686-A Plant growth regulator BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
US-5057143-A Herbicides, plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed
EP-0435104-A2 Salicylic acid derivatives, process for their preparation and their use as herbicide and bioregulators BASF Aktiengesellschaft (DE) 1991-07-03 EP disclosed
EP-0402751-A1 Derivatives of salicylic aldehyde and salicylic acid and sulphur analoges thereof, methodes for preparing them and their use as herbicides and bioregulators BASF Aktiengesellschaft (DE) 1990-12-19 EP disclosed
EP-0346789-A2 Salicylic-acid derivatives and their sulfur analogues BASF Aktiengesellschaft (DE) 1989-12-20 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 (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-20100216736-A2 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND NUDT1, DPYD, SLC29A1 LMNA 1804/4885RARB 3409/4885ALDH1A1 1284/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 LMNA 1804/4885RARB 3409/4885ALDH1A1 1284/4885
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL LMNA 1345/4885RARB 844/4885ALDH1A1 309/4885

“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.