SCHEMBL38662

SCHEMBL38662

CC(C)(C)[Si](OCCCCC=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
AOX1 Q06278 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARA Q07869 2/20 0.31
DUT P33316 1/20 0.31
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
SCHEMBL22664469 0.98 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ADH1B
SCHEMBL20500262 0.98 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ADH1B
SCHEMBL5073223 0.98 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ADH1B
SCHEMBL4333525 0.98 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ADH1B
SCHEMBL20500283 0.98 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ADH1B
SCHEMBL4821411 0.98 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ADH1B
SCHEMBL4824010 0.98 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ADH1B
SCHEMBL20500252 0.98 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ADH1B
SCHEMBL641418 0.95 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2ADH1B
SCHEMBL16705774 0.90 HDAC1 (0.34) SMYD2CYP3A4HTTSMN1; SMN2LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12415770-B2 Modulators of liver receptor homologue 1 (LRH-1) and uses Emory University, Office of Technology Transfer (US) 2025-09-16 US disclosed
EP-4516774-A2 MODULATORS OF LIVER RECEPTOR HOMOLOGUE 1 (LRH-1) AND USES Emory University (US) 2025-03-05 EP disclosed
EP-3595652-B1 MODULATORS OF LIVER RECEPTOR HOMOLOGUE 1 (LRH-1) UNIV EMORY (US) 2024-12-04 EP disclosed
US-20240368066-A1 MODULATORS OF LIVER RECEPTOR HOMOLOGUE 1 (LRH-1) AND USES EMORY UNIVERSITY 2024-11-07 US disclosed
US-12065402-B2 Modulators of liver receptor homologue 1 (LRH-1) and uses EMORY UNIVERSITY (US) 2024-08-20 US disclosed
US-20230295070-A1 Modulators of Liver Receptor Homologue 1 (LRH-1) and Uses EMORY UNIVERSITY 2023-09-21 US disclosed
US-20230295070-A1 Modulators of Liver Receptor Homologue 1 (LRH-1) and Uses EMORY UNIVERSITY 2023-09-21 US disclosed
US-11691939-B2 Modulators of liver receptor homologue 1 (LRH-1) and uses EMORY UNIVERSITY (US) 2023-07-04 US disclosed
US-11691939-B2 Modulators of liver receptor homologue 1 (LRH-1) and uses EMORY UNIVERSITY (US) 2023-07-04 US disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
US-7176227-B2 For example, N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine; efficacious against diseases such as infection with HIV virus, rheumatism, and cancer metastasis KUREHA CORPORATION (JP) 2007-02-13 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP disclosed
US-20060019959-A1 Novel quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. TSUKUBA RESEARCH INSTITUTE (JP) 2006-01-26 US disclosed
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 US disclosed
EP-1557418-A1 NOVEL QUINOXALINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-27 EP disclosed
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 EP disclosed
EP-0575494-A4 1994-04-20 EP disclosed
EP-0575494-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-12-29 EP disclosed
WO-1992016104-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-10-01 WO 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-20240368066-A1 MODULATORS OF LIVER RECEPTOR HOMOLOGUE 1 (LRH-1) AND USES NR1H2, NR1H3, NR1H4 SMYD2 1285/4885CYP3A4 2300/4885HTT 3051/4885
US-12415770-B2 Modulators of liver receptor homologue 1 (LRH-1) and uses NR1H2, NR1H3, NR1H4 SMYD2 1285/4885CYP3A4 2300/4885HTT 3051/4885
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 SMYD2 3569/4885CYP3A4 123/4885HTT 4251/4885
US-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 SMYD2 1785/4885CYP3A4 426/4885HTT 3354/4885
US-20230295070-A1 Modulators of Liver Receptor Homologue 1 (LRH-1) and Uses NR1H2, NR1H3, NR1H4 SMYD2 1285/4885CYP3A4 2300/4885HTT 3051/4885
US-11691939-B2 Modulators of liver receptor homologue 1 (LRH-1) and uses NR1H2, NR1H3, NR1H4 SMYD2 1285/4885CYP3A4 2300/4885HTT 3051/4885
US-12065402-B2 Modulators of liver receptor homologue 1 (LRH-1) and uses NR1H2, NR1H3, NR1H4 SMYD2 1285/4885CYP3A4 2300/4885HTT 3051/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 SMYD2 1567/4885CYP3A4 409/4885HTT 3429/4885
US-20060019959-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB11 SMYD2 2787/4885CYP3A4 144/4885HTT 2359/4885

“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.