Sugi Predict

Sugi Predict / Compounds / SCHEMBL22708265

SCHEMBL22708265

SCHEMBL22708265

COc1cc([C@H](C)c2ccccc2)c(N)c([C@H](C)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CA4 P22748 1/20 0.40
▸ TACR1 P25103 2/20 0.39
▸ CASR P41180 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ ACP3 P15309 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ GPR139 Q6DWJ6 1/20 0.36

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
SCHEMBL22708475 1.00 TYR (0.42) TYRALDH1A1CA4TACR1CASR
SCHEMBL18257136 0.84 TYR (0.43) TYRALDH1A1CA4TACR1CASR
SCHEMBL28026448 0.84 NR3C1 (0.45) ALDH1A1CA4TACR1CASRKMT2A
SCHEMBL22708269 0.79 TYR (0.46) TYRALDH1A1TACR1KMT2A
SCHEMBL22708266 0.79 CASR (0.40) TYRALDH1A1CA4TACR1CASR
SCHEMBL4670011 0.77 CYP2D6 (0.56) ALDH1A1KMT2AIDO1TDO2CYP2D6
SCHEMBL22708263 0.77 KMT2A (0.42) TYRALDH1A1TACR1CASRKMT2A
SCHEMBL22708260 0.77 TYR (0.38) TYRALDH1A1CA4TACR1CASR
SCHEMBL25195570 0.77 TYR (0.46) TYRALDH1A1KMT2A
SCHEMBL223314 0.76 TYR (0.51) TYRALDH1A1KMT2AACP3CYP3A4

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
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-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 3467/4885ALDH1A1 777/4885CA4 126/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L TYR 3467/4885ALDH1A1 777/4885CA4 126/4885

“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.

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