SCHEMBL30612471

SCHEMBL30612471

C[n+]1ccc(/C=C/c2ccc(/C=C/c3cc[n+](C)cc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 7/20 0.76
▸ RAB9A P51151 5/20 0.74
▸ ALDH1A1 P00352 4/20 0.74
▸ KDM4E B2RXH2 2/20 0.74
▸ HPGD P15428 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ MAPT P10636 4/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ ALPG P10696 2/20 0.68
▸ HTT P42858 2/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ THRB P10828 1/20 0.68
▸ GFER P55789 1/20 0.68
▸ GLA P06280 1/20 0.63
▸ HDAC8 Q9BY41 1/20 0.59
▸ APOBEC3A P31941 1/20 0.57
▸ APOBEC3G Q9HC16 1/20 0.57

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
SCHEMBL10001242 0.97 CHAT (0.80) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12519753 0.97 CHAT (0.80) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12364525 0.90 CHAT (0.64) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12364526 0.90 CHAT (0.64) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL9770745 0.88 CHAT (0.63) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL13208385 0.88 CHAT (0.61) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL300426 0.88 CHAT (0.61) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL4625849 0.88 CHAT (0.61) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12125135 0.88 CHAT (0.61) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL9770819 0.88 CHAT (0.61) CHATRAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322781-A1 RING-IN-RING COMPLEXES EXHIBITING TUNABLE MULTICOLOR PHOTOLUMINESCENCE NORTHWESTERN UNIVERSITY 2023-10-12 — — 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-20230322781-A1 RING-IN-RING COMPLEXES EXHIBITING TUNABLE MULTICOLOR PHOTOLUMINESCENCE PPIE, CYCS, PPIC CHAT 3143/4885RAB9A 1613/4885ALDH1A1 2431/4885

“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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