SCHEMBL3828627

SCHEMBL3828627

C#Cc1cccc(OC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
CYP3A4 P08684 1/20 0.58
ACHE P22303 2/20 0.53
FABP7 O15540 1/20 0.52
FABP5 Q01469 1/20 0.52
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HAO1 Q9UJM8 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP2 O95551 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL11240748 0.91 FABP7 (0.49) LMNACYP3A4ACHEFABP7FABP5
SCHEMBL26036690 0.85 FABP7 (0.49) LMNACYP3A4ACHEFABP7FABP5
SCHEMBL7679108 0.84 LMNA (0.59) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL28036637 0.82 MEN1 (0.66) LMNACYP3A4FABP7FABP5KMT2A
SCHEMBL10547627 0.82 CYP3A4 (0.58) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL16953007 0.82 LMNA (0.58) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL30676498 0.82 CYP3A4 (0.58) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL21045001 0.81 CYP19A1 (0.42) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL15611000 0.81 CYP3A4 (0.56) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL14501378 0.81 FABP7 (0.51) FABP7FABP5KMT2AMEN1HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
US-10968163-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-04-06 US disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
WO-2017156354-A1 α-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-09-14 WO disclosed
US-9575246-B2 Prepolymer, curable material, coating composition, non-linear optical material, optical waveguide and light control device ASAHI GLASS COMPANY, LIMITED (JP) 2017-02-21 US disclosed
EP-2889684-A1 PREPOLYMER, CURABLE MATERIAL, COATING COMPOSITION, NON-LINEAR OPTICAL MATERIAL, OPTICAL WAVEGUIDE AND LIGHT CONTROL DEVICE Asahi Glass Company, Limited (JP) 2015-07-01 EP disclosed
US-20150153509-A1 PREPOLYMER, CURABLE MATERIAL, COATING COMPOSITION, NON-LINEAR OPTICAL MATERIAL, OPTICAL WAVEGUIDE AND LIGHT CONTROL DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2015-06-04 US disclosed
WO-2010007482-A2 THIAZOLE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-01-21 WO disclosed
US-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF FUJIFILM CORPORATION (JP) 2008-11-20 US disclosed
US-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF FUJIFILM CORPORATION (JP) 2008-11-20 US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
EP-1939188-A1 Oxa-and thiazole derivatives useful as antidiabetic and antiobesity agents Bristol-Myers Squibb Company (US) 2008-07-02 EP disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
WO-1991009066-A1 HIGH CARBON RESINS AND FOAMS HYPERION CATALYSIS INTERNATIONAL, INC. (US) 1991-06-27 WO 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-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF KEAP1, CBR1, PROC LMNA 1595/4885CYP3A4 214/4885ACHE 1660/4885
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA LMNA 823/4885CYP3A4 1882/4885ACHE 3763/4885
US-10968163-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof FABP1, FABP2, FABP4 LMNA 1325/4885CYP3A4 1546/4885ACHE 2871/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA LMNA 320/4885CYP3A4 1682/4885ACHE 3502/4885

“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.