SCHEMBL17817080

SCHEMBL17817080

CC(C)CCC[C@@H](C)[C@H]1CCC2C3C[C@@H](O)C4(O)C[C@H](N)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 10/20 0.82
USP2 O75604 3/20 0.82
LMNA P02545 3/20 0.82
MEN1 O00255 1/20 0.82
TP53 P04637 1/20 0.82
KMT2A Q03164 1/20 0.82
NPC1 O15118 1/20 0.62
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
INPP5D Q92835 2/20 0.58
CDC25A P30304 3/20 0.48
CDC25B P30305 1/20 0.48
ABCB1 P08183 1/20 0.47
OSBP P22059 1/20 0.47
RORC P51449 1/20 0.47
OSBP2 Q969R2 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.47
POLA1 P09884 1/20 0.45

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-3Beta,5Alpha,6Beta-Triol SCHEMBL29153013 0.90 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL15935528 0.90 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL14490136 0.90 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL25277367 0.90 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL14360501 0.90 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL23647982 0.90 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL18504407 0.90 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL3421500 0.90 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL21000300 0.90 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
Cholestan-3Beta,5Alpha,6Beta-Triol SCHEMBL17049790 0.90 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53

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
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 NPC1L1 3549/4885USP2 2284/4885LMNA 2135/4885

“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.