SCHEMBL477559

SCHEMBL477559

OC(c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.61
SLC6A2 P23975 12/20 0.56
SLC6A4 P31645 12/20 0.56
SLC6A3 Q01959 12/20 0.56
KCNH2 Q12809 8/20 0.56
CYP2D6 P10635 5/20 0.56
CYP3A4 P08684 2/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
AOC3 Q16853 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 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
SCHEMBL30161628 1.00 UGT2B7 (0.61) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL477557 1.00 UGT2B7 (0.61) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL12405817 0.94 UGT2B7 (0.53) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL30033673 0.93 UGT2B7 (0.68) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL600527 0.93 UGT2B7 (0.68) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL26326669 0.90 UGT2B7 (0.55) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL26326655 0.86 UGT2B7 (0.55) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14033733 0.86 UGT2B7 (0.55) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL26326654 0.86 UGT2B7 (0.60) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL17064763 0.84 UGT2B7 (0.53) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310067-A1 METHOD FOR PRODUCING ORGANIC METAL NUCLEOPHILIC AGENT AND REACTION METHOD USING ORGANIC METAL NUCLEOPHILIC AGENT National University Corporation Hokkaido University (JP) 2024-01-24 EP disclosed
US-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-08-31 US disclosed
US-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-08-31 US disclosed
WO-2022196796-A1 METHOD FOR PRODUCING ORGANIC METAL NUCLEOPHILIC AGENT AND REACTION METHOD USING ORGANIC METAL NUCLEOPHILIC AGENT 国立大学法人北海道大学 2022-09-22 WO disclosed
CN-110922427-B Process for preparing substituted diphosphonites with bulky steric hindrance 温州大学 2022-07-15 CN disclosed
CN-113105409-A 2- (hydroxybenzyl) benzo [ d ] isothiazolone compound, preparation method and application thereof 四川大学 2021-07-13 CN disclosed
WO-2021093556-A1 METHOD FOR PREPARING HYDROXYL COMPOUND, DEUTERATED COMPOUND THEREOF, AND TRITIATED COMPOUND THEREOF 中国科学院福建物质结构研究所 2021-05-20 WO disclosed
CN-110922427-A Process for preparing diester of large steric hindrance alkyl substituted phosphonite 温州大学 2020-03-27 CN disclosed
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 WO disclosed
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
US-4303632-A Preparation of hydrogen peroxide E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-01 US disclosed
US-4302435-A Hydrogenation of a diarylketone to a diarylmethanol E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-11-24 US disclosed
US-4276305-A INSECTICIDES, MITICIDES HOFFMANN-LA ROCHE INC. (US) 1981-06-30 US disclosed
EP-0014455-A2 Cyclopropane(thiol)carboxylic-acid esters, processes for their preparation, pesticides containing such compounds and the use of such compounds as pesticides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-08-20 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 (3 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-20080096953-A1 Vinylogous acid derivatives CMA1, TPSG1, GAA UGT2B7 742/4885SLC6A2 2772/4885SLC6A4 3257/4885
US-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE HPD, TALDO1, OGG1 UGT2B7 300/4885SLC6A2 4398/4885SLC6A4 4230/4885
US-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR UGT2B7 837/4885SLC6A2 2988/4885SLC6A4 2170/4885

“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.