SCHEMBL5747744

SCHEMBL5747744

CC(C)(CCC(C(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.47
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
RIPK1 Q13546 1/20 0.39

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
SCHEMBL11672574 0.81 KIF11 (0.41) KIF11CYP2C19HIF1ATAAR1MAPT
SCHEMBL6681496 0.78 TAAR1 (0.50) KIF11CYP2C19HIF1ATAAR1KMT2A
SCHEMBL3368788 0.76 TAAR1 (0.64) KIF11CYP2C19HIF1ATAAR1MAPT
SCHEMBL1682512 0.76 HIF1A (0.53) CYP2C19HIF1ATAAR1MAPTKMT2A
SCHEMBL16942859 0.74 CYP2C19 (0.47) CYP2C19HIF1ATAAR1MAPTKMT2A
SCHEMBL15357891 0.74 TAAR1 (0.47) KIF11CYP2C19HIF1ATAAR1KMT2A
SCHEMBL16369386 0.74 ALDH1A1 (0.48) KIF11CYP2C19HIF1ATAAR1MAPT
SCHEMBL1836236 0.74 TAAR1 (0.47) KIF11TAAR1MAPTKMT2ARIPK1
SCHEMBL1836235 0.74 TAAR1 (0.47) KIF11TAAR1MAPTKMT2ARIPK1
SCHEMBL1832014 0.74 KIF11 (0.49) KIF11KMT2A

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 KIF11 4335/4885CYP2C19 1759/4885HIF1A 2349/4885

“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.