SCHEMBL9949178

SCHEMBL9949178

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CBr)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.61
▸ CYP46A1 Q9Y6A2 2/20 0.60
▸ PLA2G2A P14555 1/20 0.57
▸ USP2 O75604 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ABCB1 P08183 1/20 0.56
▸ OSBP P22059 1/20 0.56
▸ RORC P51449 1/20 0.56
▸ OSBP2 Q969R2 1/20 0.56
▸ NR1H3 Q13133 4/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ GBA1 P04062 2/20 0.51
▸ UGCG Q16739 2/20 0.51
▸ GBA2 Q9HCG7 2/20 0.51
▸ NPC1L1 Q9UHC9 3/20 0.51
▸ EPHA2 P29317 1/20 0.49

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
SCHEMBL9949176 1.00 POLA1 (0.61) POLA1CYP46A1PLA2G2AUSP2LMNA
SCHEMBL3155816 1.00 POLA1 (0.61) POLA1CYP46A1PLA2G2AUSP2LMNA
SCHEMBL318236 1.00 POLA1 (0.61) POLA1CYP46A1PLA2G2AUSP2LMNA
SCHEMBL12990241 1.00 POLA1 (0.61) POLA1CYP46A1PLA2G2AUSP2LMNA
SCHEMBL3155812 1.00 POLA1 (0.61) POLA1CYP46A1PLA2G2AUSP2LMNA
SCHEMBL318235 1.00 POLA1 (0.61) POLA1CYP46A1PLA2G2AUSP2LMNA
SCHEMBL15025486 0.99 POLA1 (0.62) POLA1CYP46A1PLA2G2AUSP2LMNA
SCHEMBL17244044 0.94 POLA1 (0.62) POLA1CYP46A1PLA2G2AUSP2LMNA
SCHEMBL17243858 0.92 POLA1 (0.59) POLA1CYP46A1PLA2G2AUSP2LMNA
SCHEMBL20411514 0.92 POLA1 (0.68) POLA1CYP46A1USP2LMNAABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593155-B2 Oxyntomodulin analogs MERCK SHARP & DOHME CORP. (US) 2017-03-14 — — US disclosed
US-20150307580-A1 OXYNTOMODULIN ANALOGS MERCK SHARP & DOHME (US) 2015-10-29 — — US disclosed
EP-2398483-B1 OXYNTOMODULIN ANALOGS MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
US-20120165503-A1 OXYNTOMODULIN ANALOGS MSD ITALIA S.R.L. (IT) 2012-06-28 — — 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 (2 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-20120165503-A1 OXYNTOMODULIN ANALOGS GLP1R, GCGR, GIPR POLA1 3739/4885CYP46A1 673/4885PLA2G2A 2979/4885
US-20150307580-A1 OXYNTOMODULIN ANALOGS GLP1R, GCGR, GIPR POLA1 3696/4885CYP46A1 665/4885PLA2G2A 2930/4885

“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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