SCHEMBL789558

SCHEMBL789558

C[Si](C)(C)C#CCCCCO

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
PGK1 P00558 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
SCHEMBL23015187 0.98 LMNA (0.36) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL23015167 0.98 LMNA (0.36) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL1535208 0.98 LMNA (0.36) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL23014944 0.98 LMNA (0.36) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL790240 0.92 ALDH1A1 (0.30) ALDH1A1
SCHEMBL16420274 0.87 RAB9A (0.33) LMNA
SCHEMBL19878004 0.85 RECQL (0.38) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL4062326 0.84 SELP (0.34) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL31725737 0.84 RAB9A (0.38)
SCHEMBL4053856 0.82 SELP (0.37) ALDH1A1KDM4ECYP1A2CYP3A4MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149479-A1 SYNTHESIS OF MODIFIED NUCLEOSIDE TRIPHOSPHATES ROCHE DIAGNOSTICS GMBH (DE) 2025-07-17 WO disclosed
US-20250032453-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE NEW YORK MEDICAL COLLEGE 2025-01-30 US disclosed
US-20240041831-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE NEW YORK MEDICAL COLLEGE 2024-02-08 US disclosed
US-11690825-B2 20-HETE receptor (GPR75) antagonists and methods of use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-04 US disclosed
US-11690825-B2 20-HETE receptor (GPR75) antagonists and methods of use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-04 US disclosed
EP-3270926-B1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-04 EP disclosed
US-20200030291-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE NEW YORK MEDICAL COLLEGE 2020-01-30 US disclosed
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-20180237422-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-23 US disclosed
EP-3270926-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-01-24 EP disclosed
US-8921328-B2 E-selectin antagonists GLYCOMIMETICS, INC. (US) 2014-12-30 US disclosed
US-20130331350-A1 E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2013-12-12 US disclosed
US-20130089884-A1 Protein Modification from the Oxidation of Clickable Polyunsaturated Fatty Acid Analogs Life Technologies Corporation (US) 2013-04-11 US disclosed
WO-2012037034-A1 E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2012-03-22 WO disclosed
US-20110059982-A1 AZAINDOLE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-10 US disclosed
US-20110059982-A1 AZAINDOLE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-10 US disclosed
EP-2250170-A1 AZAINDOLE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Merck Patent GmbH (DE) 2010-11-17 EP disclosed
WO-2009112139-A1 AZAINDOLE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS MERCK PATENT GMBH, (DE) 2009-09-17 WO disclosed
US-4877779-A CALCIUM CHANNEL BLOCKERS; TREATMENT OF IRRITABLE BOWEL SYNDROME MARION LABORATORIES, INC. (US) 1989-10-31 US disclosed
US-4602006-A Ynenolactone protease inhibitors SYNTEX (U.S.A.) INC. (US) 1986-07-22 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 (9 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-20180237422-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE4D ALDH1A1 608/4885KDM4E 2467/4885CYP1A2 256/4885
US-20130331350-A1 E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG ALDH1A1 891/4885KDM4E 3712/4885CYP1A2 2735/4885
US-20240041831-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE GPR55, GPR65, GPR35 ALDH1A1 2622/4885KDM4E 2810/4885CYP1A2 1850/4885
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D ALDH1A1 608/4885KDM4E 2467/4885CYP1A2 256/4885
US-20130089884-A1 Protein Modification from the Oxidation of Clickable Polyunsaturated Fatty Acid Analogs FASN, ACSL6, FADS1 ALDH1A1 814/4885KDM4E 3051/4885CYP1A2 3334/4885
US-20250032453-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE GPR55, GPR65, GPR35 ALDH1A1 2622/4885KDM4E 2810/4885CYP1A2 1850/4885
US-20200030291-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE GPR55, GPR65, GPR35 ALDH1A1 2622/4885KDM4E 2810/4885CYP1A2 1850/4885
US-20110059982-A1 AZAINDOLE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, PNMT, GRIN2C ALDH1A1 1711/4885KDM4E 1530/4885CYP1A2 103/4885
US-11690825-B2 20-HETE receptor (GPR75) antagonists and methods of use GPR55, GPR65, GPR35 ALDH1A1 2622/4885KDM4E 2810/4885CYP1A2 1850/4885

“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.