SCHEMBL22708486

SCHEMBL22708486

Cc1cc(C)cc([C@@H](C)c2cc(C)cc([C@H](C)c3cc(C)cc(C)c3)c2N)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL22708278 0.82 ACHE (0.39) ALDH1A1TSHR
SCHEMBL22708269 0.81 TYR (0.46) ALDH1A1KDM4E
SCHEMBL22439892 0.81 POLB (0.44) TSHRKDM4E
SCHEMBL22439897 0.81 NOS3 (0.32) NOS3NOS2
SCHEMBL22439894 0.81 POLB (0.44) TSHRKDM4E
SCHEMBL22439895 0.81 NOS3 (0.32) NOS3NOS2
SCHEMBL26676938 0.79 ALDH1A1 (0.43) ALDH1A1TSHRNOS3NOS1NOS2
SCHEMBL5568994 0.77 ALDH1A1 (0.42) ALDH1A1TSHRNOS3NOS1NOS2
SCHEMBL2735032 0.75 NOS2 (0.43) ALDH1A1TSHRNOS3NOS1NOS2
SCHEMBL28928607 0.74 KDM4E (0.42) ALDH1A1TSHRNOS3NOS1NOS2

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 4 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
CN-109776422-A Chiral 1,3- diaryl imidazole salt carbene precursor, its synthetic method, metal salt complex and application 中国科学院上海有机化学研究所 2019-05-21 CN 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 ALDH1A1 777/4885TSHR 4702/4885NOS3 995/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L ALDH1A1 777/4885TSHR 4702/4885NOS3 995/4885

“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.