SCHEMBL14200084

SCHEMBL14200084

COc1ccc(Cl)c(OC)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2C P28335 4/20 0.36
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36

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
SCHEMBL14200089 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HTR2CTUBB4A
SCHEMBL20148901 0.83 MAPT (0.38) ALDH1A1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL15780820 0.78 HTR2A (0.45) ALDH1A1KDM4EHTR2CHTR2AHTR2B
SCHEMBL2955217 0.78 CA2 (0.43) ALDH1A1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL28474445 0.78 LMNA (0.38) ALDH1A1HTR2ATUBB4ATUBBTUBA3C
SCHEMBL9417290 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10TUBB4ATUBB
SCHEMBL8501513 0.76 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24724645 0.75 MEP1B (0.44) ALDH1A1KDM4EHSD17B10HTR2CHTR2A
SCHEMBL18469728 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HTR2CMAPT
SCHEMBL13334904 0.73 CA1 (0.42) ALDH1A1KDM4EHSD17B10MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-20210246118-A1 SUBSTITUTED PYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2021-08-12 US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US disclosed
US-10221162-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2019-03-05 US disclosed
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2018-08-09 US disclosed
US-9656997-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2017-05-23 US disclosed
US-20170042871-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170042872-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (17 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-20170042871-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR ALDH1A1 2364/4885KDM4E 4350/4885HSD17B10 1783/4885
US-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES APH1A, BRDT, APH1B ALDH1A1 2621/4885KDM4E 4471/4885HSD17B10 1238/4885
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R ALDH1A1 2409/4885KDM4E 4750/4885HSD17B10 1665/4885
US-20170042872-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885
US-10344016-B2 Bromotriazole intermediates APH1A, BRDT, APH1B ALDH1A1 2621/4885KDM4E 4471/4885HSD17B10 1238/4885
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, GPR27 ALDH1A1 2981/4885KDM4E 4550/4885HSD17B10 2969/4885
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885
US-10221162-B2 Triazole agonists of the APJ receptor TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR ALDH1A1 2364/4885KDM4E 4350/4885HSD17B10 1783/4885
US-20210246118-A1 SUBSTITUTED PYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR APLNR, AGTR1, AGTR2 ALDH1A1 1619/4885KDM4E 4307/4885HSD17B10 2340/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885KDM4E 4340/4885HSD17B10 347/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R ALDH1A1 2409/4885KDM4E 4750/4885HSD17B10 1665/4885
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ALDH1A1 1619/4885KDM4E 4307/4885HSD17B10 2340/4885

“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.