SCHEMBL18535550

SCHEMBL18535550

CCC(CC)c1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 8/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALPG P10696 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ GLA P06280 1/20 0.46
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ HDAC8 Q9BY41 2/20 0.41

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
SCHEMBL10256537 0.82 ADRA2A (0.41) CHATLMNAAPOBEC3AAPOBEC3GHDAC8
SCHEMBL30612471 0.79 CHAT (0.76) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL19058851 0.79 CHAT (0.57) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL10001242 0.77 CHAT (0.80) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL132659 0.77 CHAT (0.55) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12519753 0.77 CHAT (0.80) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL14473573 0.73 RAB9A (0.46) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL15624211 0.72 ALDH1A1 (0.71) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL30330287 0.71 RAB9A (0.45) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12364525 0.71 CHAT (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200214962-A1 STERILE LIQUID COMPOSITION FOR FILLING WRINKLES L'OREAL (FR) 2020-07-09 — — US disclosed
EP-2654712-B1 STERILE LIQUID COMPOSITION FOR FILLING WRINKLES L'ORÉAL (FR) 2017-02-22 — — 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-20200214962-A1 STERILE LIQUID COMPOSITION FOR FILLING WRINKLES CUTA, LRBA, TERB1 CHAT 3326/4885RAB9A 4508/4885ALDH1A1 1291/4885

“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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