SCHEMBL12267706

SCHEMBL12267706

CCC(CO)COC(=O)C(CC(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RECQL P46063 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MME P08473 1/20 0.30
▸ TNF P01375 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ ADAM17 P78536 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
SCHEMBL12267730 0.91 MME (0.33) TSHRMMETNFMMP1MMP2
SCHEMBL18254442 0.85 TSHR (0.36) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL22238278 0.85 CYP3A4 (0.42) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL12707569 0.80 TSHR (0.32) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL12015497 0.79 TSHR (0.43) TSHRCYP3A4TDP1ALDH1A1ADAM17
SCHEMBL12267797 0.78 TSHR (0.37) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL22238311 0.76 MAPT (0.39) TSHRTNFMMP1MMP2MMP3
SCHEMBL15443271 0.75 ALDH1A1 (0.40) TSHRCYP3A4TRPA1ALDH1A1
SCHEMBL20221807 0.75 ALDH1A1 (0.40) TSHRCYP3A4TRPA1ALDH1A1
SCHEMBL12267751 0.75 PRKCA (0.31) —

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 18 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-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 — — US disclosed
US-9289503-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-22 — — 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-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-9029548-B2 Fatty acid lenalidomide derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
US-20140249189-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-04 — — US disclosed
US-20140228413-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-08-14 — — 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-20120283292-A1 FATTY ACID LENALIDOMIDE AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2012-11-08 — — US disclosed
US-20120277305-A1 FATTY ACID GUANIDINE AND SALICYLATE GUANIDINE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-01 — — US disclosed
US-20110213028-A1 FATTY ACID MYCOPHENOLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20110212958-A1 FATTY ACID RALOXIFENE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-09-01 — — 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 (13 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 TSHR 2965/4885CYP3A4 2263/4885ATM 4822/4885
US-20140228413-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN TSHR 1309/4885CYP3A4 1186/4885ATM 4340/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 TSHR 4367/4885CYP3A4 2336/4885ATM 2721/4885
US-20150344430-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 TSHR 2741/4885CYP3A4 1724/4885ATM 4145/4885
US-20140249189-A1 FATTY ACID NIACIN CONJUGATES AND THEIR USES NAMPT, NAPRT, FASN TSHR 1309/4885CYP3A4 1186/4885ATM 4340/4885
US-20110212958-A1 FATTY ACID RALOXIFENE DERIVATIVES AND THEIR USES ELOVL5, ELOVL3, ELOVL6 TSHR 1261/4885CYP3A4 1071/4885ATM 4082/4885
US-20130190327-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES FASN, ELOVL1, ELOVL5 TSHR 3076/4885CYP3A4 2411/4885ATM 4051/4885
US-20120277305-A1 FATTY ACID GUANIDINE AND SALICYLATE GUANIDINE DERIVATIVES AND THEIR USES SCD, SCD5, FASN TSHR 3580/4885CYP3A4 2705/4885ATM 3143/4885
US-20150352094-A1 USE OF FATTY ACID NIACIN CONJUGATES FOR TREATING DISEASES NAMPT, NNT, FASN TSHR 1312/4885CYP3A4 1716/4885ATM 4252/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 TSHR 2965/4885CYP3A4 2263/4885ATM 4822/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 TSHR 4367/4885CYP3A4 2336/4885ATM 2721/4885
US-20120283292-A1 FATTY ACID LENALIDOMIDE AND THEIR USES ELOVL1, FASN, FFAR2 TSHR 1105/4885CYP3A4 1457/4885ATM 4419/4885
US-20110213028-A1 FATTY ACID MYCOPHENOLATE DERIVATIVES AND THEIR USES FABP1, FFAR4, FABP3 TSHR 1372/4885CYP3A4 264/4885ATM 4831/4885

“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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