SCHEMBL12417796

SCHEMBL12417796

CC(=O)/C=C/C(=O)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CHKA P35790 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CHRNB3 Q05901 1/20 0.41
▸ CHRNA6 Q15825 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL30333262 1.00 CA2 (0.43) CA2CA12CA1CA9CHKA
SCHEMBL30333678 0.84 MAPT (0.32) MAPTPOLBHPGD
SCHEMBL11080510 0.81 CA2 (0.45) CA2CA12CA1CA9CHKA
SCHEMBL11080501 0.81 CA2 (0.45) CA2CA12CA1CA9CHKA
SCHEMBL6947074 0.81 CA2 (0.45) CA2CA12CA1CA9CHKA
SCHEMBL25146736 0.80 ALDH1A1 (0.42) MAPTHPGDMEN1KMT2A
SCHEMBL2190802 0.79 ALDH1A1 (0.53) CA2CA12CA1CA9CHKA
SCHEMBL2190798 0.79 ALDH1A1 (0.53) CA2CA12CA1CA9CHKA
SCHEMBL4005530 0.77 CA2 (0.45) CA2CA12CA1CA9CHKA
SCHEMBL13907144 0.76 CA2 (0.41) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023045960-A1 PYRIDINE DERIVATIVE AND USE THEREOF 四川汇宇制药股份有限公司 2023-03-30 — — WO disclosed
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-11-24 — — US disclosed
US-9289503-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-22 — — US disclosed
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2015-08-27 — — US disclosed
US-8969354-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 — — US disclosed
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-07-14 — — 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 (4 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-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CA2 2287/4885CA12 2992/4885CA1 1759/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CA2 2287/4885CA12 2992/4885CA1 1759/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CA2 2287/4885CA12 2992/4885CA1 1759/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CA2 2287/4885CA12 2992/4885CA1 1759/4885

“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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