SCHEMBL2594870

SCHEMBL2594870

C=CCC1C(=O)CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRSS1 P07477 2/20 0.35
CTRC Q99895 2/20 0.35
F2 P00734 1/20 0.35
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
FAAH O00519 1/20 0.31
CES2 O00748 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL7174440 0.93 ALDH1A1 (0.42) ALDH1A1MAPTGAAL3MBTL1PRSS1
SCHEMBL665537 0.90 ALDH1A1 (0.46) ALDH1A1MAPTGAAPRSS1CTRC
SCHEMBL9263926 0.77 FAAH (0.36) ALDH1A1MAPTGAAL3MBTL1KMT2A
SCHEMBL9436209 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL15423555 0.73
SCHEMBL29886436 0.73
SCHEMBL2051321 0.73
SCHEMBL3942028 0.73
SCHEMBL11431438 0.73 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1PRSS1CTRC
SCHEMBL9271157 0.73 NOS2 (0.37) ALDH1A1MAPTGAAL3MBTL1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810079-A A kind of synthetic method of polysubstituted dihydrofuran 浙江工业大学 2019-05-28 CN claimed
CN-109810079-A A kind of synthetic method of polysubstituted dihydrofuran 浙江工业大学 2019-05-28 CN disclosed
US-8883935-B2 High refractive index composition BATTELLE MEMORIAL INSTITUTE (US) 2014-11-11 US disclosed
EP-2563826-A2 HIGH REFRACTIVE INDEX COMPOSITION Battelle Memorial Institute (US) 2013-03-06 EP disclosed
US-20130046054-A1 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2013-02-21 US disclosed
WO-2011139856-A2 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2011-11-10 WO disclosed
US-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS UNIVERSITAT DORTMUND (DE) 2009-03-05 US disclosed
EP-1841723-A1 DECALINE DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS Universität Dortmund (DE) 2007-10-10 EP disclosed
EP-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
WO-2006069787-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS Universität Dortmund (DE) 2006-07-06 WO disclosed
US-4045452-A Steroid total synthesis process utilizing a cyanoalkyl A-ring precursor HOFFMANN-LA ROCHE INC. (US) 1977-08-30 US disclosed
US-4044005-A Peroxides of 2-oxo-cyclopenta[b]furans HOFFMANN-LA ROCHE INC. (US) 1977-08-23 US disclosed
US-4032520-A SYNTHESIS OF CYCLOPENTANOL KIENZLE FRANK 1977-06-28 US disclosed
US-4029674-A 2-Oxo-2H cyclopenta[b]furans HOFFMANN-LA ROCHE INC. (US) 1977-06-14 US disclosed
US-4005110-A 2H-Cyclopenta(b)furan-2-ones HOFFMANN-LA ROCHE INC. (US) 1977-01-25 US disclosed
US-4001281-A 2-Oxo-cyclopenta[b]furan-5α-carboxylic acid esters HOFFMANN-LA ROCHE INC. (US) 1977-01-04 US disclosed
US-3994930-A MULTISTEP, STEREOSPECIFIC TOTAL SYNTHESIS OF STEROIDS HOFFMANN-LA ROCHE INC. (US) 1976-11-30 US disclosed
US-3991084-A Steroid total synthesis process utilizing a cyanoalkyl A-ring precursor HOFFMANN-LA ROCHE INC. (US) 1976-11-09 US disclosed
US-3989724-A Tetrahydropyran-2-ols HOFFMANN-LA ROCHE INC. (US) 1976-11-02 US disclosed
US-3965138-A Steroid total synthesis process utilizing a cyanoalkyl A-ring precursor HOFFMANN-LA ROCHE INC. (US) 1976-06-22 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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS CHAT, DLAT, CPT1A ALDH1A1 1533/4885MAPT 17/4885GAA 708/4885

“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.