SCHEMBL2193040

SCHEMBL2193040

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ CNR2 P34972 3/20 0.76
▸ FAAH O00519 2/20 0.66
▸ MEN1 O00255 2/20 0.65
▸ BLM P54132 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ TRPV1 Q8NER1 2/20 0.65
▸ TRPM8 Q7Z2W7 1/20 0.65
▸ KCNK3 O14649 1/20 0.65
▸ HPGD P15428 2/20 0.63
▸ ALOX12 P18054 2/20 0.63
▸ MAPT P10636 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL1228084 1.00 CNR1 (1.00) CNR1ALDH1A1CNR2FAAHMEN1
SCHEMBL17111171 0.95 CNR1 (0.90) CNR1ALDH1A1CNR2FAAHMEN1
SCHEMBL14239652 0.92 CNR1 (0.85) CNR1ALDH1A1CNR2FAAHMEN1
SCHEMBL12319236 0.91 CNR1 (0.83) CNR1ALDH1A1CNR2FAAHMEN1
SCHEMBL13518459 0.90 CNR1 (0.82) CNR1ALDH1A1CNR2FAAHMEN1
SCHEMBL8052707 0.90 CNR1 (1.00) CNR1ALDH1A1CNR2FAAHMEN1
SCHEMBL1228841 0.90 CNR1 (1.00) CNR1ALDH1A1CNR2FAAHMEN1
SCHEMBL13767988 0.90 CNR1 (1.00) CNR1ALDH1A1CNR2FAAHMEN1
SCHEMBL13518460 0.90 CNR1 (0.82) CNR1ALDH1A1CNR2FAAHMEN1
SCHEMBL29989035 0.90 CNR1 (0.81) CNR1ALDH1A1CNR2FAAHMEN1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) Catabasis Pharmaceuticals, Inc. (US) 2017-08-30 — — EP disclosed
EP-2521447-B1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2017-05-25 — — US disclosed
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2017-05-25 — — US disclosed
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2017-05-25 — — US disclosed
US-9562210-B1 Methods for production of fatty acid alkanolamides (FAAAs) from microalgae biomass THE UNIVERSITY OF TOLEDO (US) 2017-02-07 — — US disclosed
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-11-24 — — US disclosed
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-11-24 — — US disclosed
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-11-24 — — US disclosed
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME UTI LIMITED PARTNERSHIP (CA) 2016-07-28 — — US disclosed
US-8420602-B2 May be coupled with endorphin, enkephalin, dynorphin or endomorphin; for traversing blood brain barrier MILLER LANDON C G (US) 2013-04-16 — — US disclosed
US-8420602-B2 May be coupled with endorphin, enkephalin, dynorphin or endomorphin; for traversing blood brain barrier MILLER LANDON C G (US) 2013-04-16 — — US disclosed
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 — — US disclosed
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 — — US disclosed
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 — — US disclosed
EP-2521447-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES Catabasis Pharmaceuticals, Inc. (US) 2012-11-14 — — EP disclosed
WO-2011085211-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-07-14 — — WO disclosed
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-07-14 — — US disclosed
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-07-14 — — 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 (5 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 CNR1 3320/4885ALDH1A1 972/4885CNR2 2347/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885ALDH1A1 972/4885CNR2 2347/4885
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME ORAI1, RYR2, CASR CNR1 55/4885ALDH1A1 2643/4885CNR2 72/4885
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 CNR1 2881/4885ALDH1A1 3440/4885CNR2 2509/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885ALDH1A1 972/4885CNR2 2347/4885

“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