SCHEMBL4931835

SCHEMBL4931835

C[C@]12CCC(=O)C(Br)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.63
AKR1B10 O60218 2/20 0.58
AKR1B1 P15121 2/20 0.58
OR51E2 Q9H255 1/20 0.58
GPBAR1 Q8TDU6 4/20 0.52
LMNA P02545 3/20 0.52
CYP3A4 P08684 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SHBG P04278 2/20 0.52
SERPINA6 P08185 2/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B3 P37058 1/20 0.52
PMP22 Q01453 1/20 0.52
G6PD P11413 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL4931829 1.00 CYP19A1 (0.63) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL8542864 0.84 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL8542867 0.84 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL9471786 0.83 CYP19A1 (0.63) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL3656563 0.83 CYP19A1 (0.63) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL27771048 0.83 CYP19A1 (0.63) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL9471777 0.83 CYP19A1 (0.63) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL3656561 0.83 CYP19A1 (0.63) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL27484830 0.83 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL28216403 0.81 CYP19A1 (0.60) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255076-A1 Steroid-Derived Pharmaceutical Compositions JADOLABS GMBH (DE) 2008-10-16 US disclosed
EP-1789056-A1 USE OF STEROID-DERIVED PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS RELATING TO PATHOLOGICAL PROCESSES IN LIPID RAFTS Jado Technologies GmbH (DE) 2007-05-30 EP disclosed
WO-2006002907-A1 USE OF STEROID-DERIVED PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS RELATING TO PATHOLOGICAL PROCESSES IN LIPID RAFTS JADOLABS GMBH (DE) 2006-01-12 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 (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-20080255076-A1 Steroid-Derived Pharmaceutical Compositions CYP11A1, CYP11B2, CYP11B1 CYP19A1 365/4885AKR1B10 1291/4885AKR1B1 838/4885

“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.