SCHEMBL10273746

SCHEMBL10273746

CC(=O)OC1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.60
▸ LMNA P02545 6/20 0.60
▸ MAPT P10636 5/20 0.60
▸ NR1I2 O75469 3/20 0.60
▸ CYP2C19 P33261 3/20 0.60
▸ CYP2C9 P11712 3/20 0.60
▸ TSHR P16473 3/20 0.60
▸ NR3C1 P04150 2/20 0.60
▸ PGR P06401 2/20 0.60
▸ AR P10275 2/20 0.60
▸ CYP17A1 P05093 1/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ CYP19A1 P11511 5/20 0.59
▸ ALDH1A1 P00352 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53

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
SCHEMBL26333859 1.00 CYP3A4 (0.60) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL20371152 1.00 CYP3A4 (0.60) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL2600420 0.86 CYP3A4 (0.79) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL4617563 0.86 CYP3A4 (0.79) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL4617560 0.86 CYP3A4 (0.79) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL15369348 0.86 CYP3A4 (0.79) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL2082800 0.86 CYP3A4 (0.79) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL7996078 0.86 CYP3A4 (0.79) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL18438757 0.86 CYP3A4 (0.79) CYP3A4LMNAMAPTNR1I2CYP2C19
SCHEMBL547898 0.86 CYP3A4 (0.79) CYP3A4LMNAMAPTNR1I2CYP2C19

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
EP-2660241-A2 C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 BioMarin Pharmaceutical Inc. (US) 2013-11-06 — — EP disclosed
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (CA) 2013-09-26 — — US disclosed
US-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (CA) 2013-09-26 — — US disclosed
WO-2012083112-A2 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2012-06-21 — — WO 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-20130252930-A1 CYP11B, CYP17, AND/OR CYP21 INHIBITORS CYP4A11, HSD17B11, CYP21A2 CYP3A4 44/4885LMNA 1844/4885MAPT 1918/4885

“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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