SCHEMBL22708286

SCHEMBL22708286

CS(C)(C)C#Cc1cc(O)cc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
ABL1 P00519 2/20 0.33
ABCB1 P08183 2/20 0.33
BCR P11274 2/20 0.33
CA5A P35218 3/20 0.32
ALDH1A1 P00352 3/20 0.32
APP P05067 4/20 0.31
ENPP2 Q13822 1/20 0.31
LCK P06239 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA13 Q8N1Q1 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 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
SCHEMBL23252140 0.80 APP (0.50) CA5AALDH1A1APPENPP2CA12
SCHEMBL674063 0.78 BACE1 (0.57) BACE1ABL1ABCB1BCRCA5A
SCHEMBL22708324 0.72 FFAR1 (0.35) ALDH1A1CA12CA1CA2CA9
SCHEMBL12535886 0.70 ALDH1A1 (0.57) BACE1ABL1ABCB1BCRALDH1A1
SCHEMBL673158 0.69 APP (0.61) BACE1ABL1ABCB1BCRCA5A
SCHEMBL4267390 0.67 ACHE (0.52) BACE1ALDH1A1APPCA12CA1
SCHEMBL22708321 0.67 CYP2A6 (0.32) PTGS2
SCHEMBL16532206 0.67 NPC1 (0.60) ALDH1A1APPCA12CA1CA2
SCHEMBL21017998 0.65 CA12 (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL4267409 0.65 APP (0.60) BACE1ABL1ABCB1BCRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BACE1 2410/4885ABL1 93/4885ABCB1 1698/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L BACE1 2410/4885ABL1 93/4885ABCB1 1698/4885

“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.