SCHEMBL6320850

SCHEMBL6320850

CC[S+]([O-])c1cccc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR1B P28222 1/20 0.31
ACHE P22303 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6314598 0.84 TRPA1 (0.34) TRPA1ATMTSHRSMN1; SMN2CYP1A2
SCHEMBL3882276 0.83 ACHE (0.39) TSHRCYP2A6ALDH1A1CA1CA2
SCHEMBL6312811 0.81 TRPA1 (0.32) TRPA1ATMTSHRSMN1; SMN2
SCHEMBL3676327 0.78 TRPA1 (0.42) TRPA1ATMTSHRSMN1; SMN2CYP1A2
SCHEMBL6312471 0.76 TRPA1 (0.41) TRPA1ATMTSHRSMN1; SMN2CYP1A2
SCHEMBL11196291 0.72 TRPA1 (0.38) TRPA1ATMTSHRSMN1; SMN2CYP1A2
SCHEMBL3190512 0.72 TRPA1 (0.46) TRPA1ATMTSHRSMN1; SMN2CYP1A2
SCHEMBL31005149 0.72 TRPA1 (0.46) TRPA1ATMTSHRSMN1; SMN2CYP1A2
SCHEMBL777552 0.70 ACHE (0.37) ACHE
SCHEMBL775886 0.69 CES2 (0.32)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1288222-C Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2006-12-06 CN claimed
US-6838019-B2 Phosphorescent material and electroluminescent device using thereof RITEK CORPORATION (TW) 2005-01-04 US claimed
CN-1464027-A Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2003-12-31 CN claimed
US-20030102800-A1 Phosphorescent material RITEK CORPORATION (TW) 2003-06-05 US claimed
CN-1288222-C Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2006-12-06 CN disclosed
US-6969726-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-11-29 US disclosed
US-6838019-B2 Phosphorescent material and electroluminescent device using thereof RITEK CORPORATION (TW) 2005-01-04 US disclosed
CN-1464027-A Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2003-12-31 CN disclosed
US-20030102800-A1 Phosphorescent material RITEK CORPORATION (TW) 2003-06-05 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-20030102800-A1 Phosphorescent material PKD1, RPS6KA1, RPS6KA6 TRPA1 852/4885ATM 1988/4885TSHR 3823/4885

“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.