SCHEMBL19253148

SCHEMBL19253148

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
G6PD P11413 2/20 0.50
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRG1 Q8N1C3 2/20 0.50
GABRG3 Q99928 2/20 0.50
GABRQ Q9UN88 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50

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
SCHEMBL17543941 1.00 CYP3A4 (0.50) CYP3A4GABRPGABRDG6PDGABRA1
SCHEMBL10538227 1.00 CYP3A4 (0.50) CYP3A4GABRPGABRDG6PDGABRA1
SCHEMBL10538223 1.00 CYP3A4 (0.50) CYP3A4GABRPGABRDG6PDGABRA1
SCHEMBL19253170 0.81 ALDH1A1 (0.53) CYP3A4LMNACYP1A2CYP2C19MEN1
SCHEMBL10538199 0.81 ALDH1A1 (0.53) CYP3A4LMNACYP1A2CYP2C19MEN1
SCHEMBL10538195 0.81 ALDH1A1 (0.53) CYP3A4LMNACYP1A2CYP2C19MEN1
SCHEMBL20894876 0.79 GRIN1 (0.57)
SCHEMBL19253157 0.79 GRIN1 (0.57)
SCHEMBL19733267 0.76 LMNA (0.50) CYP3A4G6PDLMNACYP1A2CYP2C9
SCHEMBL10538271 0.76 SHBG (0.51) CYP3A4MEN1KMT2AAKR1B10AKR1B1

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 CYP3A4 2790/4885GABRP 64/4885GABRD 211/4885
US-10017535-B2 Amphiphilic compounds with neuroprotective properties GAP43, GRIN2A, GRIN3A CYP3A4 2790/4885GABRP 64/4885GABRD 211/4885

“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.