Sugi Predict

Sugi Predict / Compounds / SCHEMBL321698

SCHEMBL321698

SCHEMBL321698

CCOC(=O)/C(C)=C/c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.74
▸ KMT2A Q03164 6/20 0.74
▸ MAPT P10636 7/20 0.58
▸ LMNA P02545 5/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.58
▸ S1PR4 O95977 1/20 0.58
▸ S1PR1 P21453 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ AKR1C3 P42330 1/20 0.58
▸ NR1H4 Q96RI1 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 6/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ PLIN1 O60240 1/20 0.50

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
SCHEMBL321699 1.00 MEN1 (0.74) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL10395471 0.87 MEN1 (0.66) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL10395470 0.87 MEN1 (0.66) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL1683262 0.86 MEN1 (0.56) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL22572668 0.86 KMT2A (0.56) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL3609468 0.86 MAPT (0.58) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL3609471 0.86 MAPT (0.58) MEN1KMT2AMAPTLMNANPSR1
Benzene SCHEMBL27988126 0.85 MEN1 (1.00) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL935186 0.85 MEN1 (1.00) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL5694705 0.85 MEN1 (0.54) MEN1KMT2AMAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110357789-B N-substituted acrylamide derivative as DHODH inhibitor and preparation and application thereof 华东理工大学 2022-09-30 — — CN disclosed
WO-2022150667-A1 NIMBOLIDE ANALOGS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-14 — — WO disclosed
WO-2021030335-A1 A STEREOISOMERICALLY PURE NK-3 RECEPTOR ANTAGONIST AND CRYSTALLINE FORMS THEREOF MILLENDO THERAPEUTICS, INC. (US) 2021-02-18 — — WO disclosed
US-10696617-B2 Method for alcoholysis of amide ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2020-06-30 — — US disclosed
US-10696617-B2 Method for alcoholysis of amide ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2020-06-30 — — US disclosed
US-20200055807-A1 METHOD FOR ALCOHOLYSIS OF AMIDE ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2020-02-20 — — US disclosed
US-20200055807-A1 METHOD FOR ALCOHOLYSIS OF AMIDE ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2020-02-20 — — US disclosed
CN-107417594-A A kind of method of acid amides alcoholysis 凯莱英医药集团（天津）股份有限公司 2017-12-01 — — CN disclosed
CN-102971310-B (3-methyl-pyrrolidin-3-yl) methyl-pyridyl ether derivatives and their use as NK-3 receptor antagonists HOFFMANN LA ROCHE 2015-06-03 — — CN disclosed
EP-2590963-B1 (3-METHYLPYRROLIDIN-3-YL)METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-12-03 — — EP disclosed
US-7982064-B2 Method for preparing ortho-substituted aminoferrocenes BROCK UNIVERSITY (CA) 2011-07-19 — — US disclosed
US-20100137588-A1 METHOD FOR PREPARING ORTHO-SUBSTITUTED AMINOFERROCENES BROCK UNIVERSITY (CA) 2010-06-03 — — US disclosed
EP-0484122-B1 Method for obtaining high-purity cinnamic acid MITSUI TOATSU CHEMICALS (JP) 1996-01-17 — — EP disclosed
US-5206430-A METHOD FOR OBTAINING HIGH-PURITY CINNAMIC ACID MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-04-27 — — US disclosed
EP-0484122-A2 Method for obtaining high-purity cinnamic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-06 — — EP disclosed
EP-0240138-B1 PREPARATION OF CINNAMIC ACIDS MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-09-18 — — EP disclosed
EP-0279474-B1 PROCESS FOR THE PREPARATION OF AN ESTER OF A 3-ARYL-SUBSTITUTED ACRYLIC ACID SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-11 — — EP disclosed
US-4806683-A Preparation process of cinnamic acids MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-02-21 — — US disclosed
EP-0279474-A1 Process for the preparation of an ester of a 3-aryl-substituted acrylic acid SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-08-24 — — EP disclosed
EP-0240138-A1 Preparation of cinnamic acids MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-10-07 — — EP 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 (3 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-20100137588-A1 METHOD FOR PREPARING ORTHO-SUBSTITUTED AMINOFERROCENES LPO, AOC1, AOC2 MEN1 2900/4885KMT2A 3110/4885MAPT 4511/4885
US-20200055807-A1 METHOD FOR ALCOHOLYSIS OF AMIDE ADH1A, ADH5, ADH1C MEN1 3772/4885KMT2A 588/4885MAPT 3910/4885
US-10696617-B2 Method for alcoholysis of amide ADH5, ADH1A, ADH1C MEN1 3039/4885KMT2A 673/4885MAPT 3202/4885

“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.