SCHEMBL1878894

SCHEMBL1878894

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](NC(=O)CCNC(=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
▸ CYP46A1 Q9Y6A2 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ OSBP P22059 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
▸ APP P05067 1/20 0.43
▸ NPC1L1 Q9UHC9 2/20 0.42
▸ DHCR24 Q15392 1/20 0.42
▸ 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
SCHEMBL1878892 1.00 CYP46A1 (0.47) CYP46A1USP2OSBPLMNAABCB1
SCHEMBL13311391 1.00 CYP46A1 (0.47) CYP46A1USP2OSBPLMNAABCB1
SCHEMBL12639020 1.00 CYP46A1 (0.47) CYP46A1USP2OSBPLMNAABCB1
SCHEMBL13345778 0.95 ST6GAL1 (0.44) CYP46A1USP2OSBPLMNAABCB1
SCHEMBL12639010 0.94 OSBP (0.46) CYP46A1USP2OSBPLMNAABCB1
SCHEMBL12639002 0.94 OSBP (0.46) CYP46A1USP2OSBPLMNAABCB1
SCHEMBL1881130 0.94 OSBP (0.46) CYP46A1USP2OSBPLMNAABCB1
SCHEMBL13311388 0.94 OSBP (0.46) CYP46A1USP2OSBPLMNAABCB1
SCHEMBL1879721 0.94 OSBP (0.46) CYP46A1USP2OSBPLMNAABCB1
SCHEMBL1881129 0.94 OSBP (0.46) CYP46A1USP2OSBPLMNAABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198230-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-12 — — US disclosed
US-20110236344-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-09-29 — — US disclosed
US-7956029-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-06-07 — — US disclosed
US-7947647-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2011-05-24 — — US disclosed
WO-2010071772-A2 SYNTHESIS OF 3B-AMINO-5-CHOLESTENE AND RELATED 3B-HALIDES INVOLVING I-STEROID AND RETRO-I-STEROID REARRANGEMENTS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 — — WO disclosed
US-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS THE PENN STATE RESEARCH FOUNDATION (US) 2010-06-24 — — US disclosed
US-20100029906-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2010-02-04 — — 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
US-7514400-B2 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2009-04-07 — — US disclosed
US-20060229235-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions THE PENN STATE RESEARCH FOUNDATION (US) 2006-10-12 — — 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 (5 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-20100160657-A1 SYNTHETIC MIMICS OF MAMMALIAN CELL SURFACE RECEPTORS: METHOD AND COMPOSITIONS NR1H4, LDLR, NR1H3 CYP46A1 13/4885USP2 3383/4885OSBP 350/4885
US-20090197848-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 CYP46A1 2149/4885USP2 3017/4885OSBP 1540/4885
US-20060229235-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 CYP46A1 2149/4885USP2 3017/4885OSBP 1540/4885
US-20100029906-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 CYP46A1 2149/4885USP2 3017/4885OSBP 1540/4885
US-20110236344-A1 Synthetic mimics of mammalian cell surface receptors: method and compositions MSR1, M6PR, ASGR1 CYP46A1 2149/4885USP2 3017/4885OSBP 1540/4885

“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.

Send feedback