SCHEMBL21176009

SCHEMBL21176009

C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C(Br)=C[C@]3(C)[C@H]1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 1.00
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
NR1I3 Q14994 1/20 0.42
CYP19A1 P11511 4/20 0.42
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
NR3C1 P04150 1/20 0.36
SHBG P04278 1/20 0.36
PGR P06401 1/20 0.36
SERPINA6 P08185 1/20 0.36
NR3C2 P08235 1/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36

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
SCHEMBL8898527 0.86 MBOAT4 (0.76) MBOAT4CDK5CDK5R1NR1I3CYP19A1
SCHEMBL28680586 0.85 MBOAT4 (0.74) MBOAT4CDK5CDK5R1NR1I3CYP19A1
SCHEMBL6477188 0.85 MBOAT4 (0.74) MBOAT4CDK5CDK5R1NR1I3CYP19A1
SCHEMBL28689586 0.85 MBOAT4 (0.74) MBOAT4CDK5CDK5R1NR1I3CYP19A1
SCHEMBL21176043 0.82 MBOAT4 (1.00) MBOAT4CDK5CDK5R1NR1I3CYP19A1
SCHEMBL21625866 0.80 MBOAT4 (0.67) MBOAT4CYP19A1SHBGSERPINA6CYP3A4
SCHEMBL11362671 0.79 MBOAT4 (0.65) MBOAT4CDK5CDK5R1NR1I3CYP19A1
SCHEMBL11362674 0.79 MBOAT4 (0.65) MBOAT4CDK5CDK5R1NR1I3CYP19A1
SCHEMBL21176005 0.77 MBOAT4 (0.62) MBOAT4CDK5CDK5R1NR1I3CYP19A1
SCHEMBL219127 0.77 MBOAT4 (0.62) MBOAT4CDK5CDK5R1NR1I3CYP19A1

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-20190224214-A1 HUMAN GHRELIN O-ACYLTRANSFERASE INHIBITORS SYRACUSE UNIVERSITY (US) 2019-07-25 US disclosed
US-20190224214-A1 HUMAN GHRELIN O-ACYLTRANSFERASE INHIBITORS SYRACUSE UNIVERSITY (US) 2019-07-25 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 (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-20190224214-A1 HUMAN GHRELIN O-ACYLTRANSFERASE INHIBITORS MBOAT4, LCAT, ACAT1 MBOAT4 1/4885CDK5 1727/4885CDK5R1 1561/4885

“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.