SCHEMBL5773406

SCHEMBL5773406

COC(=O)CCc1cnoc1-c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
PPARA Q07869 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.38
VEGFA P15692 1/20 0.38
FLT1 P17948 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
FFAR1 O14842 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 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
SCHEMBL5776975 0.88 KMT2A (0.49) CCNCCDK8MEN1KMT2AGAA
SCHEMBL5772543 0.88 CCNC (0.48) CCNCCDK8PPARAMEN1KMT2A
SCHEMBL5773378 0.88 CYP11B1 (0.45) CCNCCDK8GAAMAPTALDH1A1
SCHEMBL5776590 0.88 PPARA (0.47) CCNCCDK8PPARAMEN1KMT2A
SCHEMBL5773931 0.88 CYP11B1 (0.44) CCNCCDK8PPARAMEN1KMT2A
SCHEMBL5773847 0.88 CCNC (0.47) CCNCCDK8MEN1KMT2AGAA
SCHEMBL5773233 0.86 CCNC (0.41) CCNCCDK8PPARAMEN1KMT2A
SCHEMBL5771681 0.85 TRPV1 (0.43) CCNCCDK8PPARAMAPTHDAC1
SCHEMBL5772507 0.85 RXRA (0.50) PPARAMEN1KMT2AGAAMAPT
SCHEMBL5770213 0.84 MAPT (0.44) CCNCCDK8PPARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP 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-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US 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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 CCNC 397/4885CDK8 2273/4885PPARA 3707/4885
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR CCNC 3936/4885CDK8 3280/4885PPARA 602/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CCNC 3879/4885CDK8 3137/4885PPARA 247/4885

“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.