SCHEMBL459573

SCHEMBL459573

CCCCOC(=O)NC(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 7/20 0.46
ALDH1A1 P00352 1/20 0.45
FAAH O00519 2/20 0.44
ATM Q13315 1/20 0.42

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
SCHEMBL476725 1.00 EPHX1 (0.47) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL459574 1.00 EPHX1 (0.47) EPHX1SMN1; SMN2NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL10476064 0.98 EPHX1 (0.46) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2494230 0.95 EPHX1 (0.55) EPHX1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL2494231 0.95 EPHX1 (0.55) EPHX1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL7616231 0.93 MME (0.42) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL16124605 0.93 EPHX1 (0.58) EPHX1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL7770681 0.93 EPHX1 (0.58) EPHX1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL16124602 0.93 EPHX1 (0.58) EPHX1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL7770680 0.93 EPHX1 (0.58) EPHX1SMN1; SMN2NPC1RAB9AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3429354-A1 B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF Chromadex Inc. (US) 2019-01-23 EP claimed
WO-2017161165-A1 B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF ChromaDex Inc. (US) 2017-09-21 WO claimed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US claimed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US claimed
EP-1307226-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Bristol-Myers Squibb Pharma Company (US) 2003-05-07 EP claimed
WO-2001097848-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO claimed
EP-0944619-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 1999-09-29 EP claimed
WO-1998023608-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS DUPONT PHARMACEUTICALS COMPANY (US) 1998-06-04 WO claimed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP claimed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 WO disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
CN-111728444-A Sleeping bag 秦皇岛九零一五科技有限公司 2020-10-02 CN disclosed
CN-110526903-A Bisindole maleimide derivative and its preparation method and application OCEAN UNIV CHINA 2019-12-03 CN disclosed
CN-110218206-A Bisindole maleimide derivative and its preparation method and application 中国海洋大学 2019-09-10 CN disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed
EP-0346208-A1 4-Amino quinolines and naphthyridines, process for their preparation and their use as medicaments ELF SANOFI (FR) 1989-12-13 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed
US-4618710-A Preparation of optically active ketones THE REGENTS OF THE UNIVERSITY OF CALIF. (US) 1986-10-21 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 (2 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-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES HSP90B1, HSP90AB1, HSP90AA1 EPHX1 3512/4885SMN1; SMN2 3054/4885NPC1 979/4885
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 EPHX1 988/4885SMN1; SMN2 2947/4885NPC1 223/4885

“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.