SCHEMBL215803

SCHEMBL215803

B(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KCNA3 P22001 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 3/20 0.44
PGR P06401 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR1D P28221 1/20 0.44
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A4 P31645 2/20 0.43
CYP1A2 P05177 2/20 0.43
HRH1 P35367 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL22773735 0.90 KCNA3 (0.51) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL15911091 0.87 HPRT1 (0.56) HTR1BALDH1A1TDP1KCNA3HPGD
SCHEMBL11959676 0.82 KDM4E (0.52) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL1556443 0.80 NQO1 (0.47) HTR1BALDH1A1KDM4EKCNA3HPGD
SCHEMBL4289478 0.77 HTR1B (0.59) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL442767 0.77 HTR1B (0.54) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL29577853 0.77 HTR1B (0.54) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL16061159 0.77 CYP1A2 (0.43) HTR1BALDH1A1TDP1HSD17B10CYP2A6
SCHEMBL19409987 0.76 ALDH1A1 (0.42) HTR1BALDH1A1HPGDHSD17B10MAPK1
SCHEMBL419729 0.76 KCNA3 (0.53) ALDH1A1KDM4EKCNA3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684586-A Polyether base oil and preparation method thereof 万华化学集团股份有限公司 2025-03-25 CN claimed
CN-119504771-A Spiropyran derivative with color and fluorescence dual switch, photochromic material, and preparation method and application thereof 安徽省东超科技有限公司 2025-02-25 CN claimed
CN-118878402-A Preparation method of trifluoromethyl ketone compound based on palladium catalysis of C-N bond cleavage 大连理工大学 2024-11-01 CN claimed
CN-118307561-A Photosensitizer for near infrared fluorescence imaging guided photodynamic and photothermal treatment and preparation and application thereof 广东省第二人民医院(广东省卫生应急医院) 2024-07-09 CN claimed
US-11905237-B2 Access to chiral bisphenol (BPOL) ligands through desymmetrizing asymmetric ortho-selective mono-halogenation THE CHINESE UNIVERSITY OF HONG KONG (CN) 2024-02-20 US claimed
CN-113621215-B Preparation method of organic-inorganic hybrid biomass phenolic resin ablation-resistant material 哈尔滨工业大学 2024-02-09 CN claimed
CN-117186169-A Purification method of brassinolide 兰升生物科技集团股份有限公司 2023-12-08 CN claimed
CN-114560840-B 2, 7-diaryl xanthene spirofluorene diol derivative and preparation method thereof 常州南京大学高新技术研究院 2023-10-03 CN claimed
CN-116675687-A Dihydropyrimidine derivative containing carboxylic acid and preparation method and application thereof 山东大学 2023-09-01 CN claimed
CN-111138391-B Method for preparing 3-acetamido furan and derivatives thereof from marine waste biomass 南京奥凯索生物技术有限公司 2023-04-11 CN claimed
CN-101291897-A New binaphthalene derivatives, preparation method thereof and organic electronic device using the same LG CHEMICAL LTD (KR) 2008-10-22 CN claimed
US-20080200684-A1 Process for Preparing Ethyl (s)-2-Ethoxy-4-[N-[1-(2-Piperidinophenyl)-3-Methyl-1-Butyl]Aminocarbonyl Methyl]Benzoate and Use Thereof for the Preparation of Repaglinide ACTAVIS GROUP PTC HF (IS) 2008-08-21 US claimed
WO-2008099286-A2 IMPROVED PROCESS FOR PREPARING ETHYL (S)-2-ETHOXY-4-[N-[1-(2- PIPERIDINOPHENYL)-3-METHYL-1-BUTYL]AMINOCARBONYL METHYL]BENZOATE AND USE THEREOF FOR THE PREPARATION OF REPAGLINIDE ACTAVIS GROUP PTC EHF (US) 2008-08-21 WO claimed
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US claimed
WO-2005024416-A1 WATER SOLUBLE BORONIC ACID FLUORESCENT REPORTER COMPOUNDS AND METHODS OF USE THEREOF WANG BINGHE (US) 2005-03-17 WO claimed
EP-0793709-B1 NAPHTHALENE BORONIC ACIDS NOVO NORDISK AS (DK) 2000-07-12 EP claimed
US-5834415-A ENZYME STABILIZER FOR DETERGENTS NOVO NORDISK A/S (DK) 1998-11-10 US claimed
EP-0793709-A1 NAPHTHALENE BORONIC ACIDS NOVO NORDISK A/S (DK) 1997-09-10 EP claimed
CN-1147831-A Naphthalene boronic acids NOVO NORDISK AS (DK) 1997-04-16 CN claimed
WO-1995029223-A1 NAPHTHALENE BORONIC ACIDS NOVO NORDISK A/S (DK) 1995-11-02 WO claimed

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-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof GUSB, BLVRB, BCL6 HTR1B 4379/4885ALDH1A1 1297/4885KDM4E 4751/4885
US-20080200684-A1 Process for Preparing Ethyl (s)-2-Ethoxy-4-[N-[1-(2-Piperidinophenyl)-3-Methyl-1-Butyl]Aminocarbonyl Methyl]Benzoate and Use Thereof for the Preparation of Repaglinide MEP1B, GABRE, BPGM HTR1B 675/4885ALDH1A1 1646/4885KDM4E 43/4885

“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.