SCHEMBL23452817

SCHEMBL23452817

C#CCC[C@@]1(C)C(=O)CCC2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 7/20 0.72
▸ FNTB P49356 7/20 0.72
▸ SRD5A1 P18405 7/20 0.56
▸ SRD5A2 P31213 3/20 0.56
▸ NPC1L1 Q9UHC9 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 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
SCHEMBL1311793 0.88 FNTA (0.81) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL14722419 0.87 FNTA (0.80) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL1312201 0.87 FNTA (0.58) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL2162004 0.86 FNTA (0.78) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL4736266 0.86 FNTA (0.78) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL1310943 0.85 FNTA (0.74) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL2162288 0.85 FNTA (0.74) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL2162264 0.85 FNTA (0.77) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL17817386 0.84 FNTA (1.00) FNTAFNTBSRD5A1SRD5A2NPC1L1
SCHEMBL2161763 0.84 FNTA (1.00) FNTAFNTBSRD5A1SRD5A2NPC1L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163934-A1 BBB-PASSING LIPID LIGAND OF HETERO NUCLEIC ACID NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2021-06-03 — — 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-20210163934-A1 BBB-PASSING LIPID LIGAND OF HETERO NUCLEIC ACID LDLR, FABP7, APOB FNTA 1036/4885FNTB 561/4885SRD5A1 3560/4885

“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.

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