SCHEMBL16800098

SCHEMBL16800098

C/C=C/c1cc[n+](C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 7/20 0.62
▸ ALDH1A1 P00352 4/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HDAC8 Q9BY41 4/20 0.54
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALPG P10696 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ GLA P06280 1/20 0.48
▸ APOBEC3A P31941 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48

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
SCHEMBL19766254 1.00 CHAT (0.62) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL12519753 0.86 CHAT (0.80) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL10001242 0.86 CHAT (0.80) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL9777568 0.77 CHAT (1.00) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL3318878 0.77 CHAT (1.00) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL9461723 0.76 CYP3A4 (0.65) ALDH1A1KDM4ELMNATP53CYP3A4
SCHEMBL333123 0.76 CYP3A4 (0.65) ALDH1A1KDM4ELMNATP53CYP3A4
SCHEMBL7527708 0.76 CYP3A4 (0.65) ALDH1A1KDM4ELMNATP53CYP3A4
SCHEMBL12364526 0.75 CHAT (0.64) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL12364525 0.75 CHAT (0.64) CHATALDH1A1RAB9AKDM4EHPGD

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
WO-2023018377-A2 ULTRABRIGHT CHEMILUMINESCENT PROBES FOR DETECTION AND IMAGING NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-02-16 — — WO disclosed
US-20160299078-A1 Specific Detection and Quantification of Cardiolipin and Isolated Mitochondria by Positively Charged AIE Fluorogens and Method of Manufacturing Thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-10-13 — — US disclosed
US-20160195519-A1 FLUORESCENT MOLECULAR ROTORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-07 — — US disclosed
WO-2015081860-A1 SPECIFIC DETECTION AND QUANTIFICATION OF CARDIOLIPIN AND ISOLATED MITOCHONDRIA BY POSITIVELY CHARGED AIE FLUOROGENS AND METHOD OF MANUFACTURING THEREOF THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-06-11 — — WO 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-20160195519-A1 FLUORESCENT MOLECULAR ROTORS DYNC1LI2, DNAH12, DYNLL2 CHAT 4418/4885ALDH1A1 3536/4885RAB9A 1578/4885

“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.

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