SCHEMBL12417735

SCHEMBL12417735

C/C=C/C(=O)NCCOCCNC(=O)C/C=C\CC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR1 P21554 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ APEX1 P27695 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL12417791 0.82 CNR1 (0.58) CNR1ALDH1A1CNR2
SCHEMBL12417739 0.82 TSHR (0.37) PYGLSMN1; SMN2CNR1ALDH1A1APEX1
SCHEMBL12417742 0.81 CNR1 (0.33) SMN1; SMN2CNR1ALDH1A1APEX1CNR2
SCHEMBL25835502 0.80 CNR1 (0.36) CNR1ALDH1A1MEN1KMT2ACNR2
SCHEMBL14752440 0.80 CNR1 (0.40) SMN1; SMN2CNR1ALDH1A1MEN1KMT2A
SCHEMBL26032883 0.79 MEN1 (0.38) SMN1; SMN2CNR1ALDH1A1MEN1KMT2A
SCHEMBL15131730 0.79 MEN1 (0.38) SMN1; SMN2CNR1ALDH1A1MEN1KMT2A
SCHEMBL25835504 0.75 TDP1 (0.42) MEN1KMT2ACNR2
SCHEMBL25207949 0.74 HPGD (0.43) PYGLSMN1; SMN2MEN1KMT2AAPEX1
SCHEMBL12417734 0.74 PYGL (0.40) PYGLSMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PYGL 887/4885SMN1; SMN2 377/4885CNR1 3320/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 PYGL 887/4885SMN1; SMN2 377/4885CNR1 3320/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 PYGL 887/4885SMN1; SMN2 377/4885CNR1 3320/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 PYGL 887/4885SMN1; SMN2 377/4885CNR1 3320/4885

“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.

Send feedback