SCHEMBL4333209

SCHEMBL4333209

COC(=O)c1ccc([C@H](C)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
CA7 P43166 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 1/20 0.54
MAPT P10636 5/20 0.52
ALDH1A1 P00352 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 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
SCHEMBL13876418 1.00 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL1516780 1.00 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL28599280 1.00 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL4408604 0.85 CA1 (0.66) CA1CA2CA12CA9CA14
SCHEMBL14487959 0.85 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL84424 0.85 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL1765715 0.84 CA1 (0.53) CA1CA2CA12CA9CA14
SCHEMBL10610953 0.83 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL4640174 0.83 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL21147155 0.82 CA1 (0.52) CA1CA2CA12CA9CA14

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4629984-A1 DEVELOPMENT OF POTENT DUAL HDAC/BRD4 INHIBITORS BioVentures, LLC (US) 2025-10-15 EP disclosed
WO-2025060974-A1 N-SULFONYL CARBOXAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2025-03-27 WO disclosed
WO-2024123929-A1 DEVELOPMENT OF POTENT DUAL HDAC/BRD4 INHIBITORS BIOVENTURES, LLC (US) 2024-06-13 WO disclosed
US-20230391812-A1 RUTHENIUM COMPLEX, PRODUCTION METHOD OF THE COMPLEX, AND PRODUCTION METHOD OF OPTICALLY ACTIVE SECONDARY ALCOHOLS USING THE COMPLEX AS CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-12-07 US disclosed
EP-4230603-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAID COMPLEX, AND METHOD FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL USING SAID COMPLEX AS CATALYST Takasago International Corporation (JP) 2023-08-23 EP disclosed
CN-116323522-A Ruthenium complex, process for producing the same, and process for producing optically active secondary alcohol using the same as catalyst 高砂香料工业株式会社 2023-06-23 CN disclosed
EP-3341370-B1 CGRP RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2021-04-28 EP disclosed
CN-107922406-B CGRP receptor antagonists 伊兰科美国公司 2020-04-03 CN disclosed
CN-107922406-A CGRP receptor antagonist 伊莱利利公司 2018-04-17 CN disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 US disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 US disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 US disclosed
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 US disclosed
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 US disclosed
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 US disclosed
WO-2011073487-A1 PROCEDURE FOR THE ENANTIOSELECTIVE ADDITION OF ORGANOZINC COMPOUNDS TO COMPOUNDS DERIVED FROM ACETOPHENONES UNIVERSIDAD DE VALLADOLID (ES) 2011-06-23 WO disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 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 (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-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 CA1 3405/4885CA2 2170/4885CA12 4075/4885
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR CA1 2648/4885CA2 824/4885CA12 1834/4885
US-20230391812-A1 RUTHENIUM COMPLEX, PRODUCTION METHOD OF THE COMPLEX, AND PRODUCTION METHOD OF OPTICALLY ACTIVE SECONDARY ALCOHOLS USING THE COMPLEX AS CATALYST ADH5, ADH1A, ADH1C CA1 2639/4885CA2 2433/4885CA12 1650/4885

“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.