SCHEMBL9917016

SCHEMBL9917016

O=C(CO)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
EPHX2 P34913 3/20 0.46
CYP17A1 P05093 3/20 0.46
NPSR1 Q6W5P4 3/20 0.44
TSHR P16473 2/20 0.44
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.35
PRKCA P17252 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL18561575 0.88 CYP19A1 (0.45) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL951987 0.87 CYP19A1 (0.49) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL27436848 0.84 CYP19A1 (0.53) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL9852706 0.83 EPHX2 (0.51) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL14510687 0.81 CYP19A1 (0.50) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL18826687 0.81 CYP19A1 (0.50) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL158814 0.81 CYP19A1 (0.50) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL3212895 0.81 CYP19A1 (0.50) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL3902972 0.81 CYP19A1 (0.50) CYP19A1EPHX2CYP17A1NPSR1TSHR
SCHEMBL5988511 0.81 CYP19A1 (0.50) CYP19A1EPHX2CYP17A1NPSR1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417794-A Preparation method of saxagliptin intermediate 扬州市三药制药有限公司 2022-12-02 CN claimed
CN-115417794-A Preparation method of saxagliptin intermediate 扬州市三药制药有限公司 2022-12-02 CN disclosed
EP-3618833-B1 TRIPARTITE ANDROGEN RECEPTOR ELIMINATORS, METHODS AND USES THEREOF SPG THERAPEUTICS INC (US) 2022-01-19 EP disclosed
US-20200207753-A1 Tripartite Androgen Receptor Eliminators, Methods and Uses Thereof SPG THERAPEUTICS, INC. (US) 2020-07-02 US disclosed
EP-2353048-B1 PATTERN FORMING METHOD USING DEVELOPER CONTAINING ORGANIC SOLVENT AND RINSING SOLUTION FOR USE IN THE PATTERN FORMING METHOD FUJIFILM CORP (JP) 2015-02-25 EP disclosed
US-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-20110117497-A1 ACRYLATE DERIVATIVE, HALOESTER DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2011-05-19 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 (3 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-20200207753-A1 Tripartite Androgen Receptor Eliminators, Methods and Uses Thereof AR, ESRRA, ESRRB CYP19A1 34/4885EPHX2 1265/4885CYP17A1 10/4885
US-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION COASY, ARCN1, CLTB CYP19A1 627/4885EPHX2 4538/4885CYP17A1 1936/4885
US-20110117497-A1 ACRYLATE DERIVATIVE, HALOESTER DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ARCN1, H1-10, RER1 CYP19A1 2519/4885EPHX2 2407/4885CYP17A1 2417/4885

“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.