SCHEMBL5749754

SCHEMBL5749754

O=C(O)c1cccc2c1C=CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CXCR5 P32302 1/20 0.37
RXRA P19793 5/20 0.35
RXRB P28702 4/20 0.35
RXRG P48443 4/20 0.35
GFER P55789 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
TSHR P16473 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
MCL1 Q07820 1/20 0.34
ATM Q13315 1/20 0.34
ALB P02768 1/20 0.33

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
SCHEMBL5753055 0.95 CXCR5 (0.39) ALDH1A1ALOX15HSD17B10CXCR5RXRA
SCHEMBL5753051 0.95 CXCR5 (0.39) ALDH1A1ALOX15HSD17B10CXCR5RXRA
SCHEMBL5753321 0.90 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10TSHRNR4A1
SCHEMBL24479743 0.81 TRPA1 (0.46) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL36891321 0.79 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10TSHRNR4A1
SCHEMBL286794 0.79 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10TSHRNR4A1
SCHEMBL4801967 0.75 ALDH1A1 (0.44) ALDH1A1ALOX15KMT2AL3MBTL1KDM4E
SCHEMBL24725708 0.75 ALDH1A1 (0.36) ALDH1A1ALOX15KDM4EHPGD
SCHEMBL5754541 0.72 RXRA (0.41) ALDH1A1ALOX15HSD17B10CXCR5RXRA
SCHEMBL13740090 0.72 PARP1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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 (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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP ALDH1A1 783/4885ALOX15 1837/4885HSD17B10 151/4885

“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.