SCHEMBL12729838

SCHEMBL12729838

CCCC(C)C(=O)OCC(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 3/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ RECQL P46063 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ AKR1A1 P14550 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ HTR2A P28223 1/20 0.32

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
SCHEMBL12729976 0.89 CYP3A4 (0.46) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL3809356 0.86 CYP3A4 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL18856352 0.84 CYP3A4 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL15133558 0.83 TSHR (0.35) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL13471757 0.82 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL3904364 0.81 TSHR (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL12786987 0.81 TSHR (0.35) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL7219456 0.79 CYP3A4 (0.62) ALDH1A1TSHRCYP3A4TDP1ATM
SCHEMBL12964713 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL16433854 0.79 PRKCA (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258751-A1 METHODS OF TREATING HEART FAILURE USING FATTY ACID FUMARATE DERIVATIVES RAJASEKHAR VIJAYKUMAR (US) 2017-09-14 — — US disclosed
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2017-05-25 — — US disclosed
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-11-24 — — US disclosed
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 — — US disclosed
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2016-04-21 — — US disclosed
US-9289503-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-22 — — US disclosed
US-9216224-B2 Fatty acid COX inhibitor derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-12-22 — — US disclosed
US-20150352094-A1 USE OF FATTY ACID NIACIN CONJUGATES FOR TREATING DISEASES CATABASIS PHARMACEUTICALS, INC. 2015-12-10 — — US disclosed
US-20150344430-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2015-12-03 — — US disclosed
US-9150504-B2 Fatty acid guanidine and salicylate guanidine derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2015-08-27 — — US disclosed
US-9084826-B2 Fatty acid conjugates of statin and FXR agonists; compositions and method of uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-07-21 — — US disclosed
US-8969354-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
US-8946451-B2 Lipoic acid acylated salicylate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 — — US disclosed
US-20130190327-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2013-07-25 — — US disclosed
US-20130045939-A1 FATTY ACID MACROLIDE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-02-21 — — US disclosed
US-20120283292-A1 FATTY ACID LENALIDOMIDE AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2012-11-08 — — US disclosed
US-20110082210-A1 FATTY ACID FIBRATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 — — US disclosed
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 — — 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 (14 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-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ALDH1A1 1235/4885SMN1; SMN2 2004/4885MEN1 4824/4885
US-20170258751-A1 METHODS OF TREATING HEART FAILURE USING FATTY ACID FUMARATE DERIVATIVES FH, FABP3, HMGCR ALDH1A1 1637/4885SMN1; SMN2 2177/4885MEN1 4528/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885SMN1; SMN2 377/4885MEN1 3777/4885
US-20150344430-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 ALDH1A1 3440/4885SMN1; SMN2 4499/4885MEN1 1682/4885
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, PTGES2, ALOX5 ALDH1A1 676/4885SMN1; SMN2 1109/4885MEN1 4477/4885
US-20130190327-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES FASN, ELOVL1, ELOVL5 ALDH1A1 610/4885SMN1; SMN2 222/4885MEN1 2326/4885
US-20150352094-A1 USE OF FATTY ACID NIACIN CONJUGATES FOR TREATING DISEASES NAMPT, NNT, FASN ALDH1A1 626/4885SMN1; SMN2 1126/4885MEN1 1675/4885
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 ALDH1A1 3440/4885SMN1; SMN2 4499/4885MEN1 1682/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ALDH1A1 1235/4885SMN1; SMN2 2004/4885MEN1 4824/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 ALDH1A1 972/4885SMN1; SMN2 377/4885MEN1 3777/4885
US-20120283292-A1 FATTY ACID LENALIDOMIDE AND THEIR USES ELOVL1, FASN, FFAR2 ALDH1A1 794/4885SMN1; SMN2 1929/4885MEN1 1768/4885
US-20110082210-A1 FATTY ACID FIBRATE DERIVATIVES AND THEIR USES FABP1, PPARA, FABP4 ALDH1A1 857/4885SMN1; SMN2 2753/4885MEN1 4622/4885
US-20110082192-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES ACACA, ACAT2, ACACB ALDH1A1 188/4885SMN1; SMN2 2808/4885MEN1 3156/4885
US-20130045939-A1 FATTY ACID MACROLIDE DERIVATIVES AND THEIR USES FASN, ELOVL3, FFAR2 ALDH1A1 3822/4885SMN1; SMN2 3863/4885MEN1 4330/4885

“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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