SCHEMBL19253230

SCHEMBL19253230

C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1CCCC[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.57
LMNA P02545 2/20 0.54
GPBAR1 Q8TDU6 2/20 0.54
SHBG P04278 1/20 0.54
SERPINA6 P08185 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL19253185 0.80 LMNA (0.55) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL19114020 0.80 LMNA (0.62) NR1I3LMNAGPBAR1SHBGSERPINA6
SCHEMBL19733267 0.75 LMNA (0.50) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL16020131 0.74 LMNA (0.49) NR1I3LMNAGPBAR1SHBGSERPINA6
SCHEMBL10538223 0.74 CYP3A4 (0.50) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL19253148 0.74 CYP3A4 (0.50) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL17543941 0.74 CYP3A4 (0.50) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL10538227 0.74 CYP3A4 (0.50) LMNAGPBAR1SHBGSERPINA6CYP1A2
SCHEMBL11880232 0.74 CDK5 (0.42) NR1I3LMNAGPBAR1SHBGSERPINA6
SCHEMBL11880853 0.74 CDK5 (0.42) NR1I3LMNAGPBAR1SHBGSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186267-B1 AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2019-10-02 EP disclosed
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 NR1I3 537/4885LMNA 1572/4885GPBAR1 287/4885
US-10017535-B2 Amphiphilic compounds with neuroprotective properties GAP43, GRIN2A, GRIN3A NR1I3 537/4885LMNA 1572/4885GPBAR1 287/4885

“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.