SCHEMBL16260941

SCHEMBL16260941

C[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC(=O)OC12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ CHRNB2 P17787 3/20 0.35
▸ CHRNB4 P30926 3/20 0.35
▸ CHRNA3 P32297 3/20 0.35
▸ CHRNA4 P43681 3/20 0.35
▸ CHRNA7 P36544 2/20 0.35
▸ RPS6KA5 O75582 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ NR1H4 Q96RI1 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ SULT1E1 P49888 1/20 0.30
▸ LTB4R Q15722 1/20 0.30

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
SCHEMBL13041723 0.73 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21742805 0.73 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19844089 0.65 CYP19A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12134172 0.65 PTPN1 (0.32) SMN1; SMN2CYP19A1
SCHEMBL29371542 0.64 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14879825 0.63 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16414582 0.62 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2CYP19A1MEN1KMT2A
SCHEMBL14879992 0.61 SMN1; SMN2 (0.41) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9880769 0.61 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14029401 0.61 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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
US-20150197480-A9 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR MODULATORS AND USES THEREOF IN REGULATING BLOOD GLUCOSE LEVELS ACADEMIA SINICA (TW) 2015-07-16 — — US disclosed
US-20150197480-A9 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR MODULATORS AND USES THEREOF IN REGULATING BLOOD GLUCOSE LEVELS ACADEMIA SINICA (TW) 2015-07-16 — — US disclosed
US-20140350100-A1 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR MODULATORS AND USES THEREOF IN REGULATING BLOOD GLUCOSE LEVELS ACADEMIA SINICA (TW) 2014-11-27 — — US disclosed
US-20140350100-A1 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR MODULATORS AND USES THEREOF IN REGULATING BLOOD GLUCOSE LEVELS ACADEMIA SINICA (TW) 2014-11-27 — — 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-20140350100-A1 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR MODULATORS AND USES THEREOF IN REGULATING BLOOD GLUCOSE LEVELS GLP1R, GIPR, GCGR ALDH1A1 3934/4885CYP3A4 3791/4885CYP2C9 3522/4885
US-20150197480-A9 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR MODULATORS AND USES THEREOF IN REGULATING BLOOD GLUCOSE LEVELS GLP1R, GIPR, GCGR ALDH1A1 3934/4885CYP3A4 3791/4885CYP2C9 3522/4885

“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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