SCHEMBL19007852

SCHEMBL19007852

O=C(CCCCc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MGLL Q99685 2/20 0.55
FAAH O00519 2/20 0.55
LPAR1 Q92633 3/20 0.55
DPP4 P27487 1/20 0.54
CASP1 P29466 1/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC3 O15379 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 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
SCHEMBL19007857 0.98 MAPT (0.62) ALDH1A1MAPK1MAPTRXFP1L3MBTL1
SCHEMBL14368556 0.95 TDP1 (0.61) ALDH1A1MAPK1MAPTRXFP1L3MBTL1
SCHEMBL18673 0.93 ALDH1A1 (0.68) ALDH1A1MAPK1MAPTL3MBTL1TDP1
SCHEMBL17084551 0.91 TDP1 (0.67) ALDH1A1MAPK1L3MBTL1TDP1CASP1
SCHEMBL4941879 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1MAPTRXFP1L3MBTL1
SCHEMBL118235 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1MAPTRXFP1L3MBTL1
SCHEMBL28600680 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1MAPTRXFP1L3MBTL1
SCHEMBL2926392 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1MAPTRXFP1L3MBTL1
SCHEMBL20624816 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1MAPTRXFP1L3MBTL1
SCHEMBL28434793 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1MAPTRXFP1L3MBTL1

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 ALDH1A1 311/4885MAPK1 1540/4885MAPT 3311/4885

“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.