SCHEMBL5305122

SCHEMBL5305122

CCCc1cc[n+](CCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHKA P35790 2/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ CHRNA7 P36544 2/20 0.37

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
SCHEMBL5290534 0.86 KMT2A (0.54) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5288762 0.86 TP53 (0.48) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL13527277 0.86 KMT2A (0.59) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5294787 0.85 LPL (0.41) LPLLIPGMEN1TP53CYP1A2
SCHEMBL5288200 0.84 TP53 (0.46) LPLLIPGMEN1TP53CYP1A2
SCHEMBL5309308 0.84 TP53 (0.52) LPLLIPGMEN1TP53CYP1A2
SCHEMBL5300811 0.84 KMT2A (0.63) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL14641047 0.84 MEN1 (0.38) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL18604139 0.83 LPL (0.40) LPLLIPGMEN1TP53CYP1A2
SCHEMBL5290239 0.82 TP53 (0.55) LPLLIPGMEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050996-A1 ANTIOXIDANT COMPOUNDS AND THEIR USE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-02-23 — — US disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 — — WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 — — 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-20170050996-A1 ANTIOXIDANT COMPOUNDS AND THEIR USE HMOX1, PPOX, LPO LPL 1697/4885LIPG 458/4885MEN1 4418/4885

“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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