SCHEMBL10225972

SCHEMBL10225972

CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.51
CES1 P23141 2/20 0.51
PTPN1 P18031 7/20 0.47
NOS2 P35228 2/20 0.46
ATP1A1 P05023 2/20 0.45
ATP1B1 P05026 2/20 0.45
ATP1A3 P13637 2/20 0.45
ATP1B2 P14415 2/20 0.45
ATP1A2 P50993 2/20 0.45
ATP1B3 P54709 2/20 0.45
FXYD2 P54710 2/20 0.45
ATP1A4 Q13733 2/20 0.45
F3 P13726 1/20 0.42
PNLIP P16233 1/20 0.42
PTPN2 P17706 1/20 0.42
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NT5E P21589 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
ACP1 P24666 2/20 0.39

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
SCHEMBL12698978 1.00 CES2 (0.51) CES2CES1PTPN1NOS2ATP1A1
SCHEMBL10227229 0.89 ATP1A1 (0.46) CES2CES1PTPN1NOS2ATP1A1
SCHEMBL12828389 0.87 NOS2 (0.43) CES2CES1PTPN1NOS2ATP1A1
SCHEMBL12200193 0.87 NOS2 (0.43) CES2CES1PTPN1NOS2ATP1A1
SCHEMBL10226986 0.87 NOS2 (0.43) CES2CES1PTPN1NOS2ATP1A1
SCHEMBL12200194 0.87 NOS2 (0.43) CES2CES1PTPN1NOS2ATP1A1
SCHEMBL12200254 0.86 NOS2 (0.43) CES2CES1PTPN1NOS2ATP1A1
SCHEMBL21814540 0.86 CES2 (0.54) CES2CES1PTPN1NOS2ATP1A1
SCHEMBL14942406 0.86 NOS2 (0.64) CES2CES1PTPN1NOS2ATP1A1
SCHEMBL16380377 0.86 NOS2 (0.54) CES2CES1PTPN1NOS2ATP1A1

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-8124656-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20110245233-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING REATA PHARMACEUTICALS, INC. 2011-10-06 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-20110245233-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING HMOX1, ALOX12, ALOX15 CES2 3304/4885CES1 541/4885PTPN1 4282/4885

“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.