SCHEMBL3486294

SCHEMBL3486294

CC[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
AR P10275 2/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NR3C1 P04150 1/20 0.39
SHBG P04278 1/20 0.39
PGR P06401 1/20 0.39
SERPINA6 P08185 1/20 0.39
NR3C2 P08235 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.39
SRD5A1 P18405 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
SCHEMBL7196165 0.87 AR (0.44) GRIN1GRIN2BARNR3C1SHBG
SCHEMBL7196166 0.87 AR (0.44) GRIN1GRIN2BARNR3C1SHBG
SCHEMBL7197702 0.86 AR (0.42) ARGPBAR1
SCHEMBL7195422 0.85 GPBAR1 (0.43) ARGPBAR1HSD17B10
SCHEMBL8898529 0.84 AR (0.45) GRIN1GRIN2BARNR3C1SHBG
SCHEMBL21807712 0.84 AR (0.45) GRIN1GRIN2BARNR3C1SHBG
SCHEMBL15259496 0.83 AR (0.61) ARNR3C1SHBGPGRSERPINA6
SCHEMBL7193192 0.83 AR (0.61) ARNR3C1SHBGPGRSERPINA6
SCHEMBL2281371 0.83 AR (0.61) ARNR3C1SHBGPGRSERPINA6
SCHEMBL867595 0.83 AR (0.61) ARNR3C1SHBGPGRSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100037355-A1 SEQUENCE-DETERMINED DNA FRAGMENTS AND CORRESPONDING POLYPEPTIDES ENCODED THEREBY CERES, INC (US) 2010-02-11 US disclosed
US-7335349-B2 Fish attractants THE MINISTER OF AGRICULTURE FISHERIES AND FOOD (GB) 2008-02-26 US disclosed
US-20060048240-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby ALEXANDROV NICKOLAI 2006-03-02 US disclosed
WO-1999054347-A2 ALZHEIMER-ASSOCIATED β-AMYLOID BINDING PROTEIN (ERAB) INSTITUT FÜR HORMON- UND FORTPFLANZUNGSFORSCHUNG AN DER UNIVERSITÄT HAMBURG (DE) 1999-10-28 WO 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 (2 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-20100037355-A1 SEQUENCE-DETERMINED DNA FRAGMENTS AND CORRESPONDING POLYPEPTIDES ENCODED THEREBY RNGTT, CPSF1, CPSF6 GRIN1 4417/4885GRIN2B 4460/4885AR 3771/4885
US-20060048240-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby RNGTT, CPSF1, CPSF6 GRIN1 4417/4885GRIN2B 4460/4885AR 3771/4885

“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.