SCHEMBL17817328

SCHEMBL17817328

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@@]4(O)[C@H](O)[C@@H](N)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 8/20 0.83
USP2 O75604 3/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
KMT2A Q03164 1/20 0.64
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
EBP Q15125 1/20 0.57
INPP5D Q92835 1/20 0.56
ABCB1 P08183 1/20 0.52
OSBP P22059 1/20 0.52
RORC P51449 1/20 0.52
OSBP2 Q969R2 1/20 0.52
CYP46A1 Q9Y6A2 1/20 0.52
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
SRD5A1 P18405 3/20 0.51
SRD5A2 P31213 3/20 0.51
FNTA P49354 1/20 0.51

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
SCHEMBL24104745 1.00 NPC1L1 (0.83) NPC1L1USP2LMNAMEN1TP53
SCHEMBL17817325 1.00 NPC1L1 (0.83) NPC1L1USP2LMNAMEN1TP53
SCHEMBL17817068 0.91 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
SCHEMBL16226724 0.91 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
SCHEMBL16226785 0.91 NPC1L1 (1.00) NPC1L1USP2LMNAMEN1TP53
SCHEMBL16226113 0.85 NPC1L1 (0.79) NPC1L1USP2LMNAMEN1TP53
SCHEMBL16225900 0.85 NPC1L1 (0.79) NPC1L1USP2LMNAMEN1TP53
SCHEMBL16227201 0.85 NPC1L1 (0.79) NPC1L1USP2LMNAMEN1TP53
SCHEMBL16226275 0.85 NPC1L1 (0.79) NPC1L1USP2LMNAMEN1TP53
SCHEMBL6388577 0.83 NPC1L1 (0.72) 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.