SCHEMBL1031776

SCHEMBL1031776

CCCN(CCO)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.68
TSHR P16473 1/20 0.68
HRH3 Q9Y5N1 1/20 0.57
HTT P42858 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
BCHE P06276 4/20 0.51
RORC P51449 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
ACKR3 P25106 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 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
SCHEMBL23136994 0.93 HSD17B10 (0.61) HSD17B10TSHRHRH3HTTCYP1A2
Alcohol SCHEMBL2794145 0.92 TSHR (0.58) HSD17B10TSHRHRH3HTTCYP1A2
SCHEMBL13879972 0.90 HRH3 (0.69) HSD17B10TSHRHRH3HTTCYP1A2
SCHEMBL330083 0.90 HRH3 (0.68) HSD17B10TSHRHRH3BCHERORC
SCHEMBL79747 0.90 HTT (0.62) HSD17B10TSHRHTTMEN1KMT2A
SCHEMBL10256853 0.89 HSD17B10 (0.56) HSD17B10TSHRHTTNPSR1MEN1
Hydrochloric Acid SCHEMBL2313460 0.88 HTT (0.61) HSD17B10TSHRHTTMEN1KMT2A
Bromide SCHEMBL15391224 0.88 HTT (0.61) HSD17B10TSHRHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL17710415 0.88 HRH3 (0.65) HSD17B10TSHRHRH3BCHERORC
SCHEMBL9320386 0.88 HTT (0.66) HSD17B10TSHRHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620906-B Method for preparing ethylenediamine and ethanolamine derivatives by photocatalytic biomass polyalcohol 中国科学院大连化学物理研究所 2023-05-19 CN claimed
CN-113620906-A Method for preparing ethylenediamine and ethanolamine derivatives by photocatalysis of biomass polyols 中国科学院大连化学物理研究所 2021-11-09 CN claimed
CN-119684825-A Metal pigment composition 旭化成株式会社 2025-03-25 CN disclosed
CN-115124863-B Metal pigment composition 旭化成株式会社 2024-12-20 CN disclosed
US-20240059900-A1 METAL PIGMENT, APPLICATION OF METAL PIGMENT, AND METHOD FOR MANUFACTURING METAL PIGMENT ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-02-22 US disclosed
EP-4279267-A1 METAL PIGMENT, APPLICATION OF METAL PIGMENT, AND METHOD FOR MANUFACTURING METAL PIGMENT Asahi Kasei Kabushiki Kaisha (JP) 2023-11-22 EP disclosed
US-20230323135-A1 RUST PREVENTIVE COATING COMPOSITION, RUST PREVENTIVE FILM, AND ARTICLE, AND ZINC-BASED COMPOSITE PARTICLES AND COMPOSITION CONTAINING ZINC-BASED COMPOSITE PARTICLES TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 2023-10-12 US disclosed
EP-4257642-A1 RUST PREVENTIVE COATING COMPOSITION, RUST PREVENTIVE FILM, AND ARTICLE, AND ZINC-BASED COMPOSITE PARTICLES AND COMPOSITION CONTAINING ZINC-BASED COMPOSITE PARTICLES Nof Metal Coatings Asia Pacific Co., Ltd. (JP) 2023-10-11 EP disclosed
CN-116669959-A Metallic pigment, use thereof, and method for producing metallic pigment 旭化成株式会社 2023-08-29 CN disclosed
CN-116648486-A Antirust coating composition, antirust coating film, article, zinc composite particles, and composition containing zinc composite particles 恩欧富涂料(亚太)株式会社 2023-08-25 CN disclosed
CN-115124863-A Metal pigment composition 旭化成株式会社 2022-09-30 CN disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
EP-2013179-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-01-14 EP disclosed
WO-2007118859-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-0668271-B1 Process for the preparation of isocyanurate-group containing polyisocyanates BASF AG (DE) 2002-01-16 EP disclosed
US-5489663-A TRIMERIZING ALIPHATIC AND/OR CYCLOALIPHATIC DIISOCYANATES USING TETRAALKYLAMMONIUM ALKYL CARBONATE OR MIXTURES WITH QUATERNARY AMMONIOALKYL CARBONATE CATALYSTS, DEACTIVATING CATALYST BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed
EP-0400435-B1 Carbonic half-ester of betaine structure BASF AG (DE) 1994-04-13 EP disclosed
EP-0400435-A2 Carbonic half-ester of betaine structure BASF Aktiengesellschaft (DE) 1990-12-05 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 (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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 HSD17B10 412/4885TSHR 3847/4885HRH3 2167/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 HSD17B10 516/4885TSHR 2972/4885HRH3 404/4885

“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.