SCHEMBL1584047

SCHEMBL1584047

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NC(C)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 1.00
▸ MAPT P10636 4/20 1.00
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ SLC6A5 Q9Y345 1/20 0.67
▸ FAAH O00519 4/20 0.58
▸ CYP19A1 P11511 4/20 0.56
▸ PPARG P37231 3/20 0.56
▸ OXER1 Q8TDS5 3/20 0.56
▸ RXRA P19793 2/20 0.56
▸ FFAR1 O14842 2/20 0.56
▸ CNR1 P21554 2/20 0.54
▸ CNR2 P34972 1/20 0.54
▸ F7 P08709 3/20 0.49
▸ F3 P13726 3/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PPARD Q03181 2/20 0.49
▸ PPARA Q07869 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL2450075 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL2409345 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL2409351 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL4915624 0.91 ALDH1A1 (0.83) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL4915636 0.91 ALDH1A1 (0.83) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL31026998 0.89 ALDH1A1 (0.81) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL1424458 0.88 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL1424460 0.88 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL4743544 0.88 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH
SCHEMBL1424457 0.88 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2SLC6A5FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2018-02-01 — — US disclosed
US-RE46605-E1 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2017-11-14 — — US disclosed
EP-3210972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) Catabasis Pharmaceuticals, Inc. (US) 2017-08-30 — — EP disclosed
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2017-05-25 — — US disclosed
US-20160346397-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-12-01 — — US disclosed
US-9486534-B2 Niacin conjugated fatty acid mixtures and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-11-08 — — US disclosed
EP-2473045-B1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2016-08-17 — — EP disclosed
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 — — US disclosed
US-9278136-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-08 — — US disclosed
US-9238077-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-01-19 — — US disclosed
US-20130045939-A1 FATTY ACID MACROLIDE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-02-21 — — US disclosed
US-8304551-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-06 — — US disclosed
US-8304552-B2 Fatty acid niacin conjugates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-06 — — US disclosed
US-20120264791-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-10-18 — — US disclosed
US-20120252850-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-10-04 — — US disclosed
US-20120184585-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-07-19 — — US disclosed
WO-2011116312-A1 FATTY ACID MACROLIDE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-09-22 — — WO disclosed
US-20110212958-A1 FATTY ACID RALOXIFENE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
WO-2011044141-A1 FATTY ACID FIBRATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 — — WO disclosed
US-20110053990-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-03-03 — — 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 (10 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-20110053990-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN ALDH1A1 606/4885MAPT 1526/4885SMN1; SMN2 1436/4885
US-20120184585-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN ALDH1A1 606/4885MAPT 1526/4885SMN1; SMN2 1436/4885
US-20110212958-A1 FATTY ACID RALOXIFENE DERIVATIVES AND THEIR USES ELOVL5, ELOVL3, ELOVL6 ALDH1A1 1295/4885MAPT 4554/4885SMN1; SMN2 4299/4885
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 ALDH1A1 3440/4885MAPT 2895/4885SMN1; SMN2 4499/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ALDH1A1 1235/4885MAPT 4397/4885SMN1; SMN2 2004/4885
US-20120264791-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN ALDH1A1 606/4885MAPT 1526/4885SMN1; SMN2 1436/4885
US-20120252850-A1 NIACIN CONJUGATED FATTY ACID MIXTURES AND THEIR USES FABP1, NAMPT, ADH1B ALDH1A1 689/4885MAPT 1848/4885SMN1; SMN2 1674/4885
US-20180028674-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN ALDH1A1 606/4885MAPT 1526/4885SMN1; SMN2 1436/4885
US-20160346397-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN ALDH1A1 606/4885MAPT 1526/4885SMN1; SMN2 1436/4885
US-20130045939-A1 FATTY ACID MACROLIDE DERIVATIVES AND THEIR USES FASN, ELOVL3, FFAR2 ALDH1A1 3822/4885MAPT 4315/4885SMN1; SMN2 3863/4885

“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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