Cholestan-3-One

Cholestan-3-One

SCHEMBL17817037

CC(C)CCCC(C)[C@H]1CCC2C3CCC4CC(=O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.74
SRD5A1 P18405 4/20 0.66
SRD5A2 P31213 3/20 0.66
CYP2D6 P10635 1/20 0.65
CYP2C19 P33261 1/20 0.65
INPP5D Q92835 1/20 0.64
NR3C1 P04150 1/20 0.61
SHBG P04278 1/20 0.61
PGR P06401 1/20 0.61
SERPINA6 P08185 1/20 0.61
NR3C2 P08235 1/20 0.61
CYP3A4 P08684 1/20 0.61
AR P10275 1/20 0.61
CYP19A1 P11511 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MGAM O43451 1/20 0.61
USP2 O75604 2/20 0.59
CDC25A P30304 2/20 0.58
POLA1 P09884 1/20 0.58
FGF2 P09038 1/20 0.57

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
Cholestan-3-One SCHEMBL31415973 1.00 GPBAR1 (0.74) GPBAR1SRD5A1SRD5A2CYP2D6CYP2C19
Cholestan-3-One SCHEMBL14078297 1.00 GPBAR1 (0.74) GPBAR1SRD5A1SRD5A2CYP2D6CYP2C19
Cholestan-3-One SCHEMBL3034745 1.00 GPBAR1 (0.74) GPBAR1SRD5A1SRD5A2CYP2D6CYP2C19
Cholestan-3-One SCHEMBL17817346 1.00 GPBAR1 (0.74) GPBAR1SRD5A1SRD5A2CYP2D6CYP2C19
Cholestan-3-One SCHEMBL14313461 1.00 GPBAR1 (0.74) GPBAR1SRD5A1SRD5A2CYP2D6CYP2C19
Cholestan-3-One SCHEMBL24151938 1.00 GPBAR1 (0.74) GPBAR1SRD5A1SRD5A2CYP2D6CYP2C19
Cholestan-3-One SCHEMBL14360529 1.00 GPBAR1 (0.74) GPBAR1SRD5A1SRD5A2CYP2D6CYP2C19
Cholestan-3-One SCHEMBL12273856 1.00 GPBAR1 (0.74) GPBAR1SRD5A1SRD5A2CYP2D6CYP2C19
Cholestan-3-One SCHEMBL643015 1.00 GPBAR1 (0.74) GPBAR1SRD5A1SRD5A2CYP2D6CYP2C19
Cholestan-3-One SCHEMBL30428888 1.00 GPBAR1 (0.74) GPBAR1SRD5A1SRD5A2CYP2D6CYP2C19

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
WO-2021252290-A2 COMPOSITIONS AND METHODS FOR TREATING NOVEL CORONAVIRUS SARS-COV-2-MEDIATED INFLAMMATORY CONDITIONS GRI BIO, INC. (US) 2021-12-16 WO disclosed
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 GPBAR1 757/4885SRD5A1 2502/4885SRD5A2 1678/4885

“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.