SCHEMBL22708283

SCHEMBL22708283

CSc1ccc(COC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.44
▸ HTT P42858 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL648537 0.84 AGXT (0.39) —
SCHEMBL26197018 0.82 SLC6A4 (0.50) SLC6A4
SCHEMBL19638101 0.78 AGXT (0.41) —
Boric Acid SCHEMBL28083952 0.77 HTT (0.40) SLC6A4HTTMAOASLC6A2SLC6A3
SCHEMBL1145092 0.76 SLC6A4 (0.48) SLC6A4MAOASLC6A2SLC6A3MEN1
SCHEMBL7935343 0.76 AGXT (0.54) CYP1A2NPC1MAPTRAB9A
SCHEMBL2452819 0.76 ESR1 (0.54) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL22754181 0.74 SLC6A4 (0.47) SLC6A4MAOASLC6A2SLC6A3MEN1
SCHEMBL22385098 0.74 AGXT (0.32) —
SCHEMBL11957478 0.74 IDO1 (0.52) HTTNPC1MAPTRAB9A

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 SLC6A4 1121/4885HTT 4504/4885MAOA 2731/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L SLC6A4 1121/4885HTT 4504/4885MAOA 2731/4885

“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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