SCHEMBL22708696

SCHEMBL22708696

Cc1cc([C@H](C)c2ccccc2)c(N2C=[N+](c3c([C@H](C)c4ccccc4)cc(C)cc3[C@H](C)c3ccccc3)CC2)c([C@H](C)c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
DAO P14920 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 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
Hydrochloric Acid SCHEMBL22439968 0.99 TYR (0.33) TYRGAATSHRHTTNPSR1
Hydrochloric Acid SCHEMBL22439891 0.99 TYR (0.33) TYRGAATSHRHTTNPSR1
SCHEMBL22708290 0.92 TYR (0.32) TYRGAATSHRHTTNPSR1
Iodide SCHEMBL22439966 0.91 TYR (0.31) TYRGAATSHRHTTNPSR1
Iodide SCHEMBL22439967 0.91 TYR (0.31) TYRGAATSHRHTTNPSR1
Hydrochloric Acid SCHEMBL22439949 0.89 CYP11B1 (0.31)
Hydrochloric Acid SCHEMBL22439948 0.89 CYP11B1 (0.31)
Hydrochloric Acid SCHEMBL22439914 0.87 TACR1 (0.32) TYRGAATSHRHTTNPSR1
Hydrochloric Acid SCHEMBL22439942 0.86
Hydrochloric Acid SCHEMBL22439940 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023086016-A2 METHODS OF ALKENE FUNCTIONALISATION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-05-19 WO 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

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 TYR 3467/4885GAA 3525/4885TSHR 4702/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L TYR 3467/4885GAA 3525/4885TSHR 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.