SCHEMBL5577141

SCHEMBL5577141

CC(C)(C)OC(=O)CNCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
EPHX2 P34913 6/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL134689 0.78 ALDH1A1 (0.50) EPHX2ALDH1A1NPSR1MEN1MAPK1
SCHEMBL21245251 0.78 EPHX2 (0.50) HSD17B10EPHX2ALDH1A1TSHRNPSR1
SCHEMBL2300337 0.78 EPHX2 (0.53) EPHX2MEN1MAPK1KMT2ADPP4
SCHEMBL27617726 0.75 EPHX2 (0.51) EPHX2ALDH1A1NPSR1MEN1MAPK1
SCHEMBL4369566 0.74 ALDH1A1 (0.58) HSD17B10EPHX2ALDH1A1TSHRNPSR1
Acetic Acid SCHEMBL703302 0.74 ALDH1A1 (0.46) EPHX2ALDH1A1NPSR1MEN1MAPK1
Hydrochloric Acid SCHEMBL1677927 0.74 EPHX2 (0.50) EPHX2ALDH1A1TSHRNPSR1MEN1
SCHEMBL29032062 0.73 EPHX2 (0.56) EPHX2ALDH1A1MEN1MAPK1KMT2A
SCHEMBL783009 0.73 CA2 (0.41) MEN1KMT2A
SCHEMBL133579 0.72 ALDH1A1 (0.54) HSD17B10EPHX2ALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR HSD17B10 524/4885EPHX2 1889/4885ALDH1A1 2961/4885

“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.