SCHEMBL15499352

SCHEMBL15499352

CC1(C)CC[C@]2(CO)CC[C@]3(C)C(C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)C2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.45
ATP1A1 P05023 2/20 0.44
ATP1B1 P05026 2/20 0.44
ATP1A3 P13637 2/20 0.44
ATP1B2 P14415 2/20 0.44
ATP1A2 P50993 2/20 0.44
ATP1B3 P54709 2/20 0.44
FXYD2 P54710 2/20 0.44
ATP1A4 Q13733 2/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PTPN1 P18031 10/20 0.42
F3 P13726 1/20 0.41
PNLIP P16233 1/20 0.41
PTPN2 P17706 1/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NT5E P21589 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
PTPRF P10586 1/20 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
SCHEMBL13666320 1.00 NOS2 (0.45) NOS2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12200228 1.00 NOS2 (0.45) NOS2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL15499401 0.92 NOS2 (0.44) NOS2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12200194 0.91 NOS2 (0.43) NOS2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12200193 0.91 NOS2 (0.43) NOS2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL13666502 0.90 CES2 (0.41) NOS2CES2CES1PTPN1F3
SCHEMBL12602138 0.89 NOS2 (0.47) NOS2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12650102 0.89 NOS2 (0.47) NOS2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL10225972 0.86 CES2 (0.51) NOS2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12698978 0.86 CES2 (0.51) NOS2ATP1A1ATP1B1ATP1A3ATP1B2

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-9249089-B2 Antioxidant inflammation modulators: C-17 homologated oleanolic acid derivatives REATA PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-20140066408-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES REATA PHARMACEUTICALS, INC. (US) 2014-03-06 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-20140066408-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES IL17A, ALOX15, ALOX12 NOS2 65/4885ATP1A1 4463/4885ATP1B1 4782/4885

“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.