SCHEMBL26794292

SCHEMBL26794292

Cc1ccccc1-c1c2cccc(C(C)C)c2cc[n+]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 5/20 0.34
KCNN3 Q9UGI6 5/20 0.34
LMNA P02545 2/20 0.33
DHFR P00374 1/20 0.32
CNR2 P34972 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL26835615 0.85 LMNA (0.42) KCNN2KCNN3LMNACYP1A2PTGS1
SCHEMBL26794190 0.84 CYP1A2 (0.46) CYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL26794293 0.83 BRD4 (0.32) LMNADHFRCYP1A2ALDH1A1CA1
SCHEMBL26835456 0.82 LMNA (0.33) LMNA
SCHEMBL26782773 0.81 LMNA (0.33) KCNN2KCNN3LMNA
SCHEMBL26835084 0.80 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL25967623 0.80 GABRA1 (0.34) KCNN2KCNN3LMNADHFRCYP1A2
SCHEMBL26783054 0.79 LMNA (0.32) KCNN2KCNN3LMNA
SCHEMBL26835083 0.78 BRD4 (0.33) DHFRCYP2A6TSHRALDH1A1GABRA1
SCHEMBL26835214 0.77 GABRA1 (0.38) CYP1A2CYP2A6TSHRALDH1A1GABRA1

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-20230382935-A1 COMPOUND CONTAINING 1,3-DIKETONE LIGAND AND APPLICATION THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE BEIJING GREEN GUARDEE TECHNOLOGY CO., LTD. (CN) 2023-11-30 US disclosed
EP-3981776-B1 USE OF AN ANCILLARY LIGAND IN A PHOSPHORESCENT METAL COMPLEX COMPOUND UNIVERSAL DISPLAY CORP (US) 2023-11-15 EP 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 (1 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-20230382935-A1 COMPOUND CONTAINING 1,3-DIKETONE LIGAND AND APPLICATION THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE TLK1, TLK2, PDK3 KCNN2 786/4885KCNN3 797/4885LMNA 2429/4885

“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.