SCHEMBL5773909

SCHEMBL5773909

CCOC(=O)CC(=O)c1ccc(Cl)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MCL1 Q07820 1/20 0.42
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL30081035 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL31299787 0.89 KDM4E (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1348885 0.89 KDM4E (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30951612 0.85 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4ETAS1R3
SCHEMBL29254490 0.85 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4ETAS1R3
SCHEMBL15657577 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL15657696 0.84 ALDH1A1 (0.65) MEN1KMT2AALDH1A1KDM4ECYP2C19
SCHEMBL9471937 0.83 HSP90AA1 (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL19987556 0.83 KMT2A (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1437391 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ETAS1R3

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
WO-2022239808-A1 COMPOUND HAVING ANTIPARASITIC ACTIVITY 国立研究開発法人理化学研究所 2022-11-17 WO disclosed
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2015-10-08 US disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (3 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR MEN1 2811/4885KMT2A 3907/4885ALDH1A1 1045/4885
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MEN1 3040/4885KMT2A 3661/4885ALDH1A1 3714/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MEN1 2072/4885KMT2A 2906/4885ALDH1A1 682/4885

“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.