SCHEMBL5754541

SCHEMBL5754541

CC1=Cc2c(cccc2C(=O)O)CCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
MCL1 Q07820 1/20 0.38
RXRB P28702 4/20 0.37
RXRG P48443 4/20 0.37
CXCR5 P32302 2/20 0.37
MYC P01106 1/20 0.37
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3613341 0.73 CXCR5 (0.53) RXRAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5749754 0.72 ALDH1A1 (0.38) RXRAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5753055 0.71 CXCR5 (0.39) RXRAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5753051 0.71 CXCR5 (0.39) RXRAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL783869 0.70 CXCR5 (0.56) RXRAALDH1A1RXRBRXRGCXCR5
SCHEMBL29493191 0.70 CXCR5 (0.56) RXRAALDH1A1RXRBRXRGCXCR5
Phthalic Acid SCHEMBL27608269 0.69 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDCXCR5ALOX15
SCHEMBL5755502 0.68 CXCR5 (0.55) RXRAALDH1A1RXRBRXRGCXCR5
SCHEMBL27627344 0.68 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHPGDMYC
SCHEMBL27536926 0.68 TSHR (0.49) ALDH1A1HSD17B10KDM4EHPGDMYC

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 RXRA 2166/4885ALDH1A1 783/4885HSD17B10 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.