SCHEMBL14016355

SCHEMBL14016355

C[C@]12CC(=O)C[C@@]1(C)CC(=O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAOA P21397 1/20 0.31
ALOX15 P16050 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 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
SCHEMBL2706623 1.00 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ELMNACYP2C19MAPT
SCHEMBL8344752 0.86 SMN1; SMN2 (0.35) SMN1; SMN2KDM4ELMNACYP2C19MAPT
SCHEMBL8540868 0.78 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL4859696 0.77 KDM4E (0.39) SMN1; SMN2KDM4ELMNACYP2C19MAPT
SCHEMBL2691041 0.77
SCHEMBL11837084 0.76 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL38953 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ELMNACYP2C19TSHR
SCHEMBL19261516 0.74 KDM4E (0.39) KDM4ELMNACYP2C19MAPTTSHR
Hydrochloric Acid SCHEMBL20704047 0.74 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ELMNACYP2C19TSHR
Water SCHEMBL7733637 0.74 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ELMNACYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4133263-B1 CAPILLARY GEL ELECTROPHORESIS AND ITS USE WITH COMPLEX BIOLOGICAL MOLECULES ARES TRADING SA (CH) 2024-05-22 EP disclosed
US-20230152275-A1 CAPILLARY GEL ELECTROPHORESIS AND ITS USE WITH COMPLEX BIOLOGICAL MOLECULES ARES TRADING S.A. (CH) 2023-05-18 US disclosed
EP-4133263-A1 CAPILLARY GEL ELECTROPHORESIS AND ITS USE WITH COMPLEX BIOLOGICAL MOLECULES Ares Trading S.A. (CH) 2023-02-15 EP disclosed
EP-3892989-A1 CAPILLARY GEL ELECTROPHORESIS AND ITS USE WITH COMPLEX BIOLOGICAL MOLECULES Ares Trading S.A. (CH) 2021-10-13 EP disclosed
US-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD (CN) 2020-09-03 US disclosed
EP-3686196-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
US-9738539-B2 Separation and storage of fluids using ITQ-55 EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-08-22 US disclosed
US-9688542-B2 Separation and storage of fluids using ITQ-55 EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-06-27 US disclosed
US-20160008753-A1 Separation and Storage of Fluids Using ITQ-55 EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-01-14 US disclosed
US-20160008753-A1 Separation and Storage of Fluids Using ITQ-55 EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-01-14 US disclosed
US-7442687-B2 2-polycyclic propynyl adenosine analogs having A2A agonist activity THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-28 US disclosed
US-7442687-B2 2-polycyclic propynyl adenosine analogs having A2A agonist activity THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-28 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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR IDO1, HDAC1, HDAC2 SMN1; SMN2 4020/4885KDM4E 116/4885LMNA 3524/4885

“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.