SCHEMBL23311802

SCHEMBL23311802

CCOC(=O)[C@@]1(CCC(C)=O)CC2(CCC1=O)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34

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
SCHEMBL20535913 0.83 PTPN1 (0.33) PTPN1
SCHEMBL20535917 0.83 PTPN1 (0.33) PTPN1
SCHEMBL10940755 0.79 CYP2C19 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16370866 0.78 CYP2C19 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19GABRP
SCHEMBL30727072 0.78 CYP2C19 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19GABRP
SCHEMBL17779666 0.78 CYP2C19 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL12526172 0.76 KMT2A (0.32) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL15563930 0.68 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19GABRP
SCHEMBL14635820 0.67 CYP2C19 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL4429302 0.67 PARP1 (0.36) ALDH1A1CYP3A4CYP2C19POLBSMN1; SMN2

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-20220079924-A1 GLUCOCORTICOID RECEPTOR MODULATORS ORIC PHARMACEUTICALS, INC. 2022-03-17 US disclosed
US-20210122730-A1 GLUCOCORTICOID RECEPTOR MODULATORS ORIC PHARMACEUTICALS, INC. 2021-04-29 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-20210122730-A1 GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 ALDH1A1 3599/4885CYP3A4 1179/4885CYP2C9 2280/4885
US-20220079924-A1 GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 ALDH1A1 3599/4885CYP3A4 1179/4885CYP2C9 2280/4885

“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.