SCHEMBL12639016

SCHEMBL12639016

CC(C)CCCC(C)[C@H]1CCC2C3CC=C4CC(NCCCNC(=O)CCCCCNc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OSBP P22059 3/20 0.47
▸ CYP46A1 Q9Y6A2 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ RORC P51449 1/20 0.47
▸ OSBP2 Q969R2 1/20 0.47
▸ POLA1 P09884 1/20 0.46
▸ ST6GAL1 P15907 2/20 0.45
▸ ST3GAL1 Q11201 2/20 0.45
▸ ST3GAL3 Q11203 1/20 0.44
▸ NR1H3 Q13133 6/20 0.43
▸ NPC1L1 Q9UHC9 2/20 0.42
▸ DHCR24 Q15392 1/20 0.42
▸ APP P05067 1/20 0.41
▸ EPHA2 P29317 1/20 0.41

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
SCHEMBL13311383 1.00 OSBP (0.47) OSBPCYP46A1USP2LMNAABCB1
SCHEMBL1956603 1.00 OSBP (0.47) OSBPCYP46A1USP2LMNAABCB1
SCHEMBL1956604 1.00 OSBP (0.47) OSBPCYP46A1USP2LMNAABCB1
SCHEMBL13311388 0.99 OSBP (0.46) OSBPCYP46A1USP2LMNAABCB1
SCHEMBL12639010 0.99 OSBP (0.46) OSBPCYP46A1USP2LMNAABCB1
SCHEMBL1879721 0.99 OSBP (0.46) OSBPCYP46A1USP2LMNAABCB1
SCHEMBL1881130 0.99 OSBP (0.46) OSBPCYP46A1USP2LMNAABCB1
SCHEMBL12639002 0.99 OSBP (0.46) OSBPCYP46A1USP2LMNAABCB1
SCHEMBL1881129 0.99 OSBP (0.46) OSBPCYP46A1USP2LMNAABCB1
SCHEMBL13311323 0.99 OSBP (0.46) OSBPCYP46A1USP2LMNAABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947647-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-05-24 — — US disclosed
US-20090197848-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2009-08-06 — — 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-20090197848-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 OSBP 1540/4885CYP46A1 2149/4885USP2 3017/4885

“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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