SCHEMBL5598343

SCHEMBL5598343

O=C(CCc1ccccc1)C(Cc1ccccc1)(Cc1ccccc1)C(=O)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
ALDH1A1 P00352 2/20 0.53
FFAR1 O14842 2/20 0.53
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HDAC1 Q13547 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
FAAH O00519 3/20 0.47

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
SCHEMBL18508894 0.81 MMP1 (0.48) KEAP1ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL29187270 0.81 KEAP1 (0.53) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL7277718 0.81 KEAP1 (0.53) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL28460352 0.78 KEAP1 (0.59) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL5598351 0.78 ALDH1A1 (0.61) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL1274684 0.78 CES1 (0.73) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL8153818 0.78 ALDH1A1 (0.61) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL338742 0.76 SMN1; SMN2 (0.61) KEAP1ALDH1A1SMN1; SMN2CES1HIF1A
SCHEMBL28913550 0.76 ALDH1A1 (0.59) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL28410796 0.74 ALDH1A1 (0.57) KEAP1ALDH1A1FFAR1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2022-05-19 US disclosed
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-05-14 US disclosed
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2018-03-22 US disclosed
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2018-03-22 US disclosed
US-9907786-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof IONS PHARMACEUTICAL S.À R.L. (LU) 2018-03-06 US disclosed
US-9907786-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof IONS PHARMACEUTICAL S.À R.L. (LU) 2018-03-06 US disclosed
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-04-20 US disclosed
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-04-20 US disclosed
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF Ions Pharmaceutical S.à r.I. (LU) 2017-04-20 US disclosed
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF Ions Pharmaceutical S.à r.I. (LU) 2017-04-20 US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 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 (8 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-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT KEAP1 248/4885ALDH1A1 320/4885FFAR1 4344/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 KEAP1 107/4885ALDH1A1 670/4885FFAR1 2346/4885
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT KEAP1 248/4885ALDH1A1 320/4885FFAR1 4344/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 KEAP1 107/4885ALDH1A1 670/4885FFAR1 2346/4885
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN KEAP1 394/4885ALDH1A1 371/4885FFAR1 4305/4885
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT KEAP1 248/4885ALDH1A1 320/4885FFAR1 4344/4885
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN KEAP1 394/4885ALDH1A1 371/4885FFAR1 4305/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 KEAP1 24/4885ALDH1A1 110/4885FFAR1 1889/4885

“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.