SCHEMBL162969

SCHEMBL162969

N#Cc1cc(O)ccc1/C=C/C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.58
TYR P14679 3/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
AKR1B10 O60218 1/20 0.46
CA3 P07451 1/20 0.46
PKM P14618 1/20 0.46
AKR1B1 P15121 1/20 0.46
CA6 P23280 1/20 0.46
DPP4 P27487 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46

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
SCHEMBL162970 1.00 MIF (0.58) MIFTYRCA1CA2CA4
SCHEMBL31609339 1.00 MIF (0.58) MIFTYRCA1CA2CA4
Diethylamine SCHEMBL1247543 0.89 MIF (0.48) MIFTYRCA1CA2CA4
SCHEMBL6010545 0.88 MIF (0.56) MIFTYRCA1CA2CA4
SCHEMBL1792590 0.83 MAPT (0.47) MIFCA1CA2CA4ESR1
SCHEMBL1792588 0.83 MAPT (0.47) MIFCA1CA2CA4ESR1
SCHEMBL21446778 0.83 TYR (0.67) TYRPKMNFKB1CHRNA7
SCHEMBL1791516 0.82 CYP3A4 (0.46) MIFCA1CA2CA4ESR1
SCHEMBL8187374 0.82 EIF2AK2 (0.44) MIFCA1CA2CA4HCAR2
SCHEMBL1791265 0.82 CYP3A4 (0.46) MIFCA1CA2CA4ESR1

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 1354 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
CN-120141962-A Calibrator for calibrating time-of-flight mass spectrum as well as preparation method and application thereof 郑州安图生物工程股份有限公司 2025-06-13 CN claimed
CN-120058821-A Prodrug designed based on tumor LAT1 transporter and preparation method thereof 广西中医药大学 2025-05-30 CN claimed
CN-119678039-A Matrix solution, mass analysis method, storage medium, and discrimination method 株式会社岛津制作所 2025-03-21 CN claimed
CN-119351520-A Application of MALDI-TOF mass spectrometry probe in carboxylesterase detection 吉林大学 2025-01-24 CN claimed
CN-118817812-A Devices, systems, methods and uses for applying reagents to biological tissue samples and performing in situ derivatization reactions 中国医学科学院药物研究所 2024-10-22 CN claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
CN-118150673-A Method for detecting haemoglobin CS type variant by MALDI-TOF MS 融智生物科技(青岛)有限公司 2024-06-07 CN claimed
CN-117990773-A Method for detecting spatial distribution of active ingredients in garlic 中国农业科学院农业质量标准与检测技术研究所 2024-05-07 CN claimed
CN-117679394-A Amphiphilic small molecule double-prodrug nanoparticle for pH response type drug release in tumor microenvironment and preparation method and application thereof 宁夏医科大学 2024-03-12 CN claimed
EP-1404643-A2 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY (US) 2004-04-07 EP claimed
WO-2003078452-A1 METHOD AND APPARATUS FOR THE IDENTIFICATION AND QUALIFICATION OF BIOMOLECULES PERSEPTIVE BIOSYSTEMS, INC. (US) 2003-09-25 WO claimed
US-20030175844-A1 Method and apparatus for the identification and quantification of biomolecules APPLIED BIOSYSTEMS, LLC 2003-09-18 US claimed
WO-2003071263-A1 DEVICE FOR ISOELECTRIC FOCUSSING GENOME INSTITUTE OF SINGAPORE, NATIONAL UNIVERSITY OF SINGAPORE (SG) 2003-08-28 WO claimed
US-6610976-B2 Method and apparatus for improved signal-to-noise ratio in mass spectrometry THE ROCKEFELLER UNIVERSITY 2003-08-26 US claimed
US-20030042413-A1 Method and apparatus for improved signal-to-noise ratio in mass spectrometry THE ROCKEFELLER UNIVERSITY 2003-03-06 US claimed
US-20030027231-A1 Methods for using mass spectrometry to identify and classify filamentous fungi, yeasts, molds and pollen JOHNS HOPKINS UNIVERSITY, THE 2003-02-06 US claimed
WO-2002097393-A2 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY (US) 2002-12-05 WO claimed
WO-2001078880-A1 METHOD OF REDUCING ION FRAGMENTATION IN MASS SPECTROMETRY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-10-25 WO claimed
US-5663212-A Light-sensitive resin composition FUJI PHOTO FILM CO., LTD. (JP) 1997-09-02 US claimed