SCHEMBL5754446

SCHEMBL5754446

O=C(Cc1ccccc1)C1=CCCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EPHX1 P07099 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
SRD5A2 P31213 2/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 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
SCHEMBL5753145 1.00 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2AHDAC4
SCHEMBL10804415 0.83 RAB9A (0.47) ALDH1A1HPGDMEN1KMT2AHDAC4
SCHEMBL9593862 0.75 HDAC4 (0.48) ALDH1A1HPGDHDAC4HDAC2HDAC8
SCHEMBL8479323 0.74 TDP1 (0.53) ALDH1A1HPGDKMT2AHDAC4HDAC2
SCHEMBL29273743 0.74 EPHX1 (0.57) ALDH1A1HPGDKMT2AHDAC4HDAC2
SCHEMBL13039628 0.74 HDAC2 (0.55) ALDH1A1HPGDHDAC4HDAC2HDAC8
SCHEMBL10653198 0.72 HDAC2 (0.53) ALDH1A1HPGDHDAC4HDAC2HDAC8
SCHEMBL14218298 0.72 ESR1 (0.50) ALDH1A1HPGDMEN1KMT2AEPHX1
SCHEMBL518453 0.72 HDAC2 (0.57) HDAC4HDAC2HDAC8HDAC6CES2
SCHEMBL20184157 0.72 HDAC2 (0.57) HDAC4HDAC2HDAC8HDAC6CES2

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 6 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 claimed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US claimed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP claimed
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 783/4885HPGD 3316/4885MEN1 2847/4885

“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.