SCHEMBL9949201

SCHEMBL9949201

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CSC[C@H](N)C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.62
▸ CYP46A1 Q9Y6A2 2/20 0.56
▸ GBA1 P04062 2/20 0.53
▸ UGCG Q16739 2/20 0.53
▸ GBA2 Q9HCG7 2/20 0.53
▸ USP2 O75604 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ABCB1 P08183 1/20 0.52
▸ OSBP P22059 1/20 0.52
▸ RORC P51449 1/20 0.52
▸ OSBP2 Q969R2 1/20 0.52
▸ NPC1L1 Q9UHC9 5/20 0.51
▸ NR1H3 Q13133 4/20 0.47
▸ PLA2G2A P14555 1/20 0.46
▸ EPHA2 P29317 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL9949206 1.00 POLA1 (0.62) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL9949188 0.93 POLA1 (0.56) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL9949191 0.93 POLA1 (0.56) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL9950657 0.93 POLA1 (0.56) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL3811949 0.93 POLA1 (0.56) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL10237714 0.90 POLA1 (0.59) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL3712900 0.88 CYP46A1 (0.55) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL3712896 0.88 CYP46A1 (0.55) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL18120320 0.88 POLA1 (0.69) POLA1CYP46A1GBA1UGCGGBA2
SCHEMBL18199503 0.87 POLA1 (0.68) POLA1CYP46A1GBA1UGCGGBA2

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 673/4885GBA1 3081/4885
US-20150307580-A1 OXYNTOMODULIN ANALOGS GLP1R, GCGR, GIPR POLA1 3696/4885CYP46A1 665/4885GBA1 3147/4885

“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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