SCHEMBL4289478

SCHEMBL4289478

c1ccc2c(OOc3cccc4ccccc34)cccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.59
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP2A6 P11509 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.50
KCNA3 P22001 1/20 0.50
NR2E1 Q9Y466 1/20 0.50
PGR P06401 1/20 0.48
GAA P10253 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR1D P28221 1/20 0.48
CYP1A2 P05177 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL28676783 0.90 HTR1B (0.55) HTR1BALDH1A1HSD17B10KDM4ECYP2A6
SCHEMBL7190194 0.87 CYP1A2 (0.58) HTR1BALDH1A1HSD17B10KDM4ETDP1
SCHEMBL9487565 0.85 HTR1B (0.52) HTR1BALDH1A1HSD17B10KDM4ECYP2A6
SCHEMBL30272529 0.85 HTR1B (0.52) HTR1BALDH1A1HSD17B10KDM4ECYP2A6
SCHEMBL9445680 0.85 HTR1B (0.47) HTR1BALDH1A1HSD17B10KDM4ECYP2A6
SCHEMBL442767 0.83 HTR1B (0.54) HTR1BALDH1A1HSD17B10KDM4ECYP2A6
SCHEMBL29577853 0.83 HTR1B (0.54) HTR1BALDH1A1HSD17B10KDM4ECYP2A6
SCHEMBL7195343 0.82 ALDH1A1 (0.50) HTR1BALDH1A1HSD17B10KDM4ETDP1
Methane SCHEMBL10959030 0.81 HTR1B (0.52) HTR1BALDH1A1HSD17B10KDM4ECYP2A6
SCHEMBL7457103 0.81 HTR1B (0.52) HTR1BALDH1A1HSD17B10KDM4ECYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812759-A Cleaning agent for hot washing of oil well and preparation method thereof 中国石油天然气股份有限公司 2021-05-18 CN claimed
CN-110105932-B Resin material for plugging oil-gas well casing and preparation method thereof 中国石油天然气股份有限公司 2021-03-09 CN claimed
WO-2007075951-A2 METHODS FOR STORING HOLOGRAPHIC DATA AND ARTICLES HAVING ENHANCED DATA STORAGE LIFETIME DERIVED THEREFROM GENERAL ELECTRIC COMPANY (US) 2007-07-05 WO claimed
US-20070147214-A1 Methods for storing holographic data and articles having enhanced data storage lifetime derived therefrom GENERAL ELECTRIC COMPANY (US) 2007-06-28 US claimed
JP-63309862-A None JP disclosed
JP-63309861-A None JP disclosed
CN-113880977-B Olefin polymerization catalyst, preparation method and application 万华化学集团股份有限公司 2023-07-11 CN disclosed
CN-113880977-A Olefin polymerization catalyst, preparation method and application 万华化学集团股份有限公司 2022-01-04 CN disclosed
CN-112812759-A Cleaning agent for hot washing of oil well and preparation method thereof 中国石油天然气股份有限公司 2021-05-18 CN disclosed
CN-110105932-B Resin material for plugging oil-gas well casing and preparation method thereof 中国石油天然气股份有限公司 2021-03-09 CN disclosed
EP-2061524-A2 COLOR CHANGING SKIN SEALANT Kimberly-Clark Worldwide, Inc. (US) 2009-05-27 EP disclosed
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
CN-1224756-A New virus-deactivating method ZOU FANGLIN (CN) 1999-08-04 CN disclosed
US-5478882-A Composition containing high molecular weight polyvinyl chloride, plasticizer, uniformly dispersed glass fibers THE GEON COMPANY (US) 1995-12-26 US disclosed
US-5258232-A Composite panels, heat and sag resistance THE GEON COMPANY (US) 1993-11-02 US disclosed
WO-1990010254-A1 PRODUCTION OF THREE DIMENSIONAL BODIES BY PHOTOPOLYMERIZATION BOWLING GREEN STATE UNIVERSITY (US) 1990-09-07 WO disclosed
JP-S63309862-A PEROXIDE NAPHTHYL COMPOUND AND ITS PRODUCTION TERUMO CORP 1988-12-16 JP disclosed
JP-S63309861-A TEST COMPOSITION FOR MEASURING PEROXIDE ACTIVATING MATERIAL AND TESTING MEANS DEPOSITED WITH SAID COMPOSITION TERUMO CORP 1988-12-16 JP disclosed
US-4363322-A Deodorizing and disinfecting liquid-absorbing product and process for production thereof ANDERSSON A E BROR 1982-12-14 US disclosed
US-4155901-A COPOLYMERIZATION OF ACRYLONITRILE AND SYTRENE IN PRESENCE OF DIENE ELASTOMER SUBSTRATE, CONTROLLED CONTINUOUS ADDITION OF MONOMERS THE STANDARD OIL COMPANY (US) 1979-05-22 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 (1 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-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 HTR1B 1413/4885ALDH1A1 119/4885HSD17B10 6/4885

“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.