SCHEMBL6771923

SCHEMBL6771923

COCN(CCc1ccc(Cl)cc1)C[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CYP51A1 Q16850 1/20 0.39
KCNH2 Q12809 6/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHIT1 Q13231 2/20 0.34
CHIA Q9BZP6 2/20 0.34
CHI3L1 P36222 1/20 0.34
CHI3L2 Q15782 1/20 0.34
MIF P14174 1/20 0.33

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
SCHEMBL9653111 0.84 TAAR1 (0.44) AOC3HTR2AHTR2CHTR2BKCNH2
SCHEMBL16497719 0.70 TAAR1 (0.43) AOC3HTR2AHTR2CHTR2BKCNH2
SCHEMBL2297307 0.70 TSHR (0.49) AOC3TAAR1
SCHEMBL13858441 0.68 PIK3CD (0.31) MEN1KMT2A
SCHEMBL1546247 0.68
SCHEMBL1796186 0.68 APLNR (0.44) AOC3ALDH1A1TAAR1
SCHEMBL6982347 0.68 PYCR1 (0.42) ALDH1A1TAAR1MEN1KMT2A
SCHEMBL102928 0.67 TSHR (0.42) AOC3ALDH1A1CNR2
Ammonia Solution, Strong SCHEMBL4465336 0.66 TSHR (0.41) AOC3ALDH1A1CNR2
SCHEMBL357647 0.66 TAAR1 (0.50) AOC3HTR2AHTR2BALDH1A1TAAR1

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-6710064-B2 FOR THERAPY OF INFLAMMATORY OR IMMUNE DISEASES BRISTOL-MYERS SQUIBB CO. 2004-03-23 US disclosed
US-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 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 (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-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents HRH4, IL4I1, HRH2 AOC3 790/4885HTR2A 1846/4885HTR2C 956/4885

“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.