SCHEMBL6553370

SCHEMBL6553370

Cc1cc(C)cc(C#C[Si](C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
LOX P28300 1/20 0.32
GRM5 P41594 2/20 0.31
SELL P14151 1/20 0.31
SELP P16109 1/20 0.31
SELE P16581 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL23235858 0.85 GRM5 (0.32) GRM5
SCHEMBL1478000 0.84 LOX (0.35) LOX
SCHEMBL12788161 0.80 CYP1A1 (0.33) LOX
SCHEMBL9956785 0.79 GRM5 (0.50) GRM5
SCHEMBL3721314 0.78 POLB (0.32) ALDH1A1LOXGRM5
SCHEMBL3691802 0.78 FFAR1 (0.45) FFAR1ALDH1A1TSHRGRM5SELL
SCHEMBL31349195 0.78 GRM5 (0.56) FFAR1GRM5ACHE
SCHEMBL3347354 0.78 GRM5 (0.56) FFAR1GRM5ACHE
SCHEMBL440124 0.75 GRM5 (0.50) FFAR1ALDH1A1GRM5ACHE
SCHEMBL19677742 0.75 HDAC1 (0.31) LOXGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111961052-B Preparation method of gamma-carboline derivative 沈阳师范大学 2022-06-03 CN disclosed
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-05-31 US disclosed
US-20200369620-A1 CHIRAL 1,3-DIARYLIMIDAZOLIUM SALT CARBENE PRECURSOR, SYNTHESIS METHOD THEREFOR, METAL SALT COMPOUND AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-26 US disclosed
CN-111961052-A Preparation method of gamma-carboline derivative 沈阳师范大学 2020-11-20 CN disclosed
EP-3712132-A1 CHIRAL 1,3-DIARYLIMIDAZOLIUM SALT CARBENE PRECURSOR, SYNTHESIS METHOD THEREFOR, METAL SALT COMPOUND AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2020-09-23 EP disclosed
US-9309463-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-04-12 US disclosed
US-20140077131-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-03-20 US disclosed
EP-1149067-B1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
EP-1149067-A1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6310247-B1 HAS APOPTOTIC ACTIVITY USEFUL FOR PROPHYLAXIS AND THERAPY OF CANCER HOFFMANN-LA ROCHE INC. 2001-10-30 US disclosed
WO-2000035856-A1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (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-20200369620-A1 CHIRAL 1,3-DIARYLIMIDAZOLIUM SALT CARBENE PRECURSOR, SYNTHESIS METHOD THEREFOR, METAL SALT COMPOUND AND APPLICATION THEREOF CYP51A1, SLC39A11, ZC3HAV1L FFAR1 1296/4885ALDH1A1 777/4885TSHR 4702/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L FFAR1 1296/4885ALDH1A1 777/4885TSHR 4702/4885

“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.