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Sugi Predict / Compounds / SCHEMBL1237454

SCHEMBL1237454

SCHEMBL1237454

C=C(CC)C(=O)O.C=C(CC)C(=O)O.CC=C(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TET2 Q6N021 4/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ FFAR3 O14843 1/20 0.33
▸ TET3 O43151 1/20 0.32
▸ TET1 Q8NFU7 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GRIK1 P39086 1/20 0.31
▸ GRIK2 Q13002 1/20 0.31
▸ GRM1 Q13255 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ AKR1C3 P42330 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
SCHEMBL156661 1.00 HSD17B10 (0.35) HSD17B10ALOX15TET2TDP1ALDH1A1
SCHEMBL156658 1.00 HSD17B10 (0.35) HSD17B10ALOX15TET2TDP1ALDH1A1
Methacrylic Acid SCHEMBL1235717 0.96 HSD17B10 (0.33) HSD17B10ALOX15TET2TDP1ALDH1A1
Trimethylammonium SCHEMBL4482732 0.94 HSD17B10 (0.32) HSD17B10ALOX15TET2TDP1
SCHEMBL17763724 0.90 ALOX15 (0.34) HSD17B10ALOX15GRIK1GRIK2
SCHEMBL10963845 0.90 TDP1 (0.44) HSD17B10ALOX15TDP1GRIK1GRIK2
Hydrochloric Acid SCHEMBL9525786 0.89 ALOX15 (0.33) HSD17B10ALOX15
Trimethylammonium SCHEMBL8832532 0.84 ALOX15 (0.31) HSD17B10ALOX15
Acetic Acid SCHEMBL8604107 0.83 TDP1 (0.42) HSD17B10ALOX15TET2TDP1ALDH1A1
Acetone SCHEMBL10428691 0.83 TDP1 (0.42) HSD17B10ALOX15TET2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833412-B2 Triple combination release multi-layered tablet OSMOTICA KERESKEDELMI ES SZOLGALTATO KFT (HU) 2017-12-05 — — US disclosed
US-9504640-B2 Modified release formulations of a bupropion salt VALEANT PHARMACEUTICALS LUXEMBOURG S.Á.R.L. (LU) 2016-11-29 — — US disclosed
EP-2965753-A1 OSMOTIC DEVICE CONTAINING AMANTADINE AND AN OSMOTIC SALT OSMOTICA KERESKEDELMI ÉS SZOLGÁLTATÓ KFT (HU) 2016-01-13 — — EP disclosed
EP-1834638-B1 OSMOTIC DEVICE CONTAINING AMANTADINE AND AN OSMOTIC SALT Osmotica Kereskedelmi és Szolgáltató KFT (HU) 2015-08-12 — — EP disclosed
US-20150202147-A1 Modified Release Formulations Of A Bupropion Salt VALEANT INTERNATIONAL BERMUDA (BM) 2015-07-23 — — US disclosed
US-8932628-B2 Modified release formulations of a bupropion salt VALEANT INTERNATIONAL BERMUDA (BM) 2015-01-13 — — US disclosed
US-20140302141-A1 Triple Combination Release Multi-layered Tablet OSMOTICA KERESKEDELMI ES SZOLGALTATO KFT (HU) 2014-10-09 — — US disclosed
US-20140242063-A1 PHARMACEUTICAL COMPOSITIONS VALEANT LABORATORIES INTERNATIONAL BERMUDA (BM) 2014-08-28 — — US disclosed
US-20140170216-A1 BUPROPION HYDROBROMIDE POLYMORPHS VALEANT INTERNATIONAL BERMUDA (BM) 2014-06-19 — — US disclosed
US-20140030249-A1 Pharmaceutical Compositions VALEANT INTERNATIONAL BERMUDA (BM) 2014-01-30 — — US disclosed
WO-2001051040-A1 OSMOTIC DEVICE CONTAINING ALPRAZOLAM AND AN ANTIPSYCHOTIC AGENT OSMOTICA CORP (VG) 2001-07-19 — — WO disclosed
WO-2001051037-A1 OSMOTIC DEVICE CONTAINING DILTIAZEM AND AN ACE INHIBITOR OR DIURETIC OSMOTICA CORP. (VG) 2001-07-19 — — WO disclosed
WO-2001049267-A1 MULTI-TABLET OXYBUTYNIN SYSTEM FOR TREATING INCONTINENCE OSMOTICA CORP. (VG) 2001-07-12 — — WO disclosed
US-6248359-B1 SUSTAINED RELEASE LABORATORIOS PHOENIX U.S.A., INC. (AR) 2001-06-19 — — US disclosed
US-6004582-A FOR IMMEDIATE DELIVERY OF A FIRST ACTIVE AGENT FOLLOWED BY A MONITORED, CONTINUOUS, CONTROLLED AND/OR RETARDED DELIVERY OF A SECOND ACTIVE AGENT WHICH IS THE SAME OR DIFFERENT AS THE FIRST ACTIVE AGENT; TIME-RELEASE AGENTS LABORATORIOS PHOENIX U.S.A, INC. (AR) 1999-12-21 — — US disclosed
EP-0914098-A1 MULTI-LAYERED OSMOTIC DEVICE Laboratorios Phoenix U.S.A., Inc. (US) 1999-05-12 — — EP disclosed
WO-1998053802-A1 MULTI-LAYERED OSMOTIC DEVICE LABORATORIOS PHOENIX U.S.A., INC. (US) 1998-12-03 — — WO disclosed
US-5650170-A Dosage form for delivering drug at a controlled rate to the intestine and to the colon ALZA CORPORATION (US) 1997-07-22 — — US disclosed
EP-0521074-B1 DOSAGE FORM FOR DELIVERING DRUG TO THE INTESTINE ALZA CORP (US) 1994-03-02 — — EP disclosed
US-5178866-A DOSAGE FORM FOR DELIVERING DRUG TO THE INTESTINE ALZA CORPORATION (US) 1993-01-12 — — 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 (4 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-20150202147-A1 Modified Release Formulations Of A Bupropion Salt SLC6A2, SLC6A3, SLC6A11 HSD17B10 447/4885ALOX15 2876/4885TET2 1769/4885
US-20140170216-A1 BUPROPION HYDROBROMIDE POLYMORPHS SLC6A3, GABBR1, SLC6A2 HSD17B10 186/4885ALOX15 3861/4885TET2 1594/4885
US-20140030249-A1 Pharmaceutical Compositions HTT, ATXN10, TTR HSD17B10 215/4885ALOX15 1893/4885TET2 4068/4885
US-20140242063-A1 PHARMACEUTICAL COMPOSITIONS HTT, ATXN10, TTR HSD17B10 215/4885ALOX15 1893/4885TET2 4068/4885

“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.