SCHEMBL19253258

SCHEMBL19253258

C[C@]1(C(=O)O)CC[C@H]2[C@@H](CC[C@@H]3CC(=O)CC[C@@]32C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.51
AKR1B10 O60218 3/20 0.51
AKR1B1 P15121 3/20 0.51
GPBAR1 Q8TDU6 3/20 0.51
CYP19A1 P11511 2/20 0.51
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
SERPINA6 P08185 1/20 0.51
NR3C2 P08235 1/20 0.51
CYP3A4 P08684 1/20 0.51
AR P10275 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MGAM O43451 1/20 0.51
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
OR51E2 Q9H255 1/20 0.49
ATP1A1 P05023 1/20 0.48
ATP1B1 P05026 1/20 0.48
ATP1A3 P13637 1/20 0.48
ATP1B2 P14415 1/20 0.48

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
SCHEMBL10538274 1.00 SHBG (0.51) SHBGAKR1B10AKR1B1GPBAR1CYP19A1
SCHEMBL10538271 1.00 SHBG (0.51) SHBGAKR1B10AKR1B1GPBAR1CYP19A1
SCHEMBL19253184 0.79 SHBG (0.51) SHBGAKR1B10AKR1B1GPBAR1CYP19A1
SCHEMBL19253253 0.77 CYP19A1 (0.50) SHBGAKR1B10AKR1B1GPBAR1CYP19A1
SCHEMBL19253227 0.76 AKR1B10 (0.54) SHBGAKR1B10AKR1B1GPBAR1CYP19A1
SCHEMBL17543941 0.76 CYP3A4 (0.50) SHBGAKR1B10AKR1B1GPBAR1SERPINA6
SCHEMBL10538223 0.76 CYP3A4 (0.50) SHBGAKR1B10AKR1B1GPBAR1SERPINA6
SCHEMBL10538227 0.76 CYP3A4 (0.50) SHBGAKR1B10AKR1B1GPBAR1SERPINA6
SCHEMBL19253148 0.76 CYP3A4 (0.50) SHBGAKR1B10AKR1B1GPBAR1SERPINA6
SCHEMBL19253268 0.74 AKR1B10 (0.47) SHBGAKR1B10AKR1B1GPBAR1CYP19A1

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
EP-3260462-B1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2019-04-17 EP disclosed
US-10017535-B2 Amphiphilic compounds with neuroprotective properties USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2018-07-10 US disclosed
EP-3260462-A1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2017-12-27 EP disclosed
US-20170240588-A1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2017-08-24 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 (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-20170240588-A1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES GAP43, GRIN2A, GRIN3A SHBG 3674/4885AKR1B10 3701/4885AKR1B1 3535/4885
US-10017535-B2 Amphiphilic compounds with neuroprotective properties GAP43, GRIN2A, GRIN3A SHBG 3674/4885AKR1B10 3701/4885AKR1B1 3535/4885

“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.