SCHEMBL19007857

SCHEMBL19007857

O=C(CCCCCc1ccccc1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
FAAH O00519 4/20 0.57
MGLL Q99685 2/20 0.57
LPAR1 Q92633 3/20 0.57
ALOX5 P09917 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
CES1 P23141 3/20 0.54
DPP4 P27487 1/20 0.53
CBS P35520 1/20 0.53

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
SCHEMBL19007852 0.98 ALDH1A1 (0.59) MAPTRXFP1ALDH1A1MAPK1L3MBTL1
SCHEMBL14368556 0.93 TDP1 (0.61) MAPTRXFP1ALDH1A1MAPK1L3MBTL1
SCHEMBL28600680 0.93 ALDH1A1 (0.66) MAPTRXFP1ALDH1A1MAPK1L3MBTL1
SCHEMBL28434793 0.93 ALDH1A1 (0.66) MAPTRXFP1ALDH1A1MAPK1L3MBTL1
SCHEMBL10621326 0.93 ALDH1A1 (0.66) MAPTRXFP1ALDH1A1MAPK1L3MBTL1
SCHEMBL4941879 0.93 ALDH1A1 (0.66) MAPTRXFP1ALDH1A1MAPK1L3MBTL1
SCHEMBL118235 0.93 ALDH1A1 (0.66) MAPTRXFP1ALDH1A1MAPK1L3MBTL1
SCHEMBL2926392 0.93 ALDH1A1 (0.66) MAPTRXFP1ALDH1A1MAPK1L3MBTL1
SCHEMBL20624816 0.93 ALDH1A1 (0.66) MAPTRXFP1ALDH1A1MAPK1L3MBTL1
SCHEMBL10621313 0.93 ALDH1A1 (0.66) MAPTRXFP1ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815766-B2 Process for double carbonylation of allyl ethers to corresponding diesters EVONIK DEGUSSA GMBH (DE) 2017-11-14 US disclosed
US-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2017-06-22 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-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS CBR3, CBR1, EPOR MAPT 3311/4885RXFP1 4759/4885ALDH1A1 311/4885

“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.