SCHEMBL6319958

SCHEMBL6319958

CCC[S+]([O-])c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 4/20 0.32
AGXT P21549 2/20 0.32
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ELANE P08246 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPT P10636 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
SCHEMBL20906472 0.88 ACHE (0.42) ACHETDP1IDO1CYP1A2CYP2A6
SCHEMBL20921311 0.88 ACHE (0.42) ACHETDP1IDO1CYP1A2CYP2A6
SCHEMBL6321020 0.87 HTT (0.35) ACHETDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29249118 0.84 HTT (0.41) TDP1ALDH1A1HPGDSMN1; SMN2CYP2C9
SCHEMBL12283711 0.81 ACHE (0.40) ACHETDP1IDO1CYP1A2CYP2A6
SCHEMBL3884085 0.81 ACHE (0.40) ACHETDP1IDO1CYP1A2CYP2A6
SCHEMBL20921280 0.80 ACHE (0.42) ACHETDP1CYP1A2CA12CA2
SCHEMBL17195666 0.80 CYP1A2 (0.35) IDO1CYP1A2CYP2A6TAAR1ALDH1A1
SCHEMBL12849547 0.80 CYP3A4 (0.31) IDO1CYP1A2CYP3A4
SCHEMBL776216 0.79 TP53 (0.40) TDP1ALDH1A1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838019-B2 Phosphorescent material and electroluminescent device using thereof RITEK CORPORATION (TW) 2005-01-04 US 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-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
US-4656290-A Process for preparing thio, dithio or carbonyl compounds CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1987-04-07 US disclosed
EP-0150026-A2 Chemical process CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1985-07-31 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-20030102800-A1 Phosphorescent material PKD1, RPS6KA1, RPS6KA6 ACHE 4774/4885TDP1 4727/4885IDO1 4188/4885

“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.