SCHEMBL61989

SCHEMBL61989

COc1ccc(C)c(Br)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
NQO2 P16083 2/20 0.39
NCEH1 Q6PIU2 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 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
SCHEMBL30505692 1.00 ACHE (0.39) ACHENQO2NCEH1ALDH1A1KDM4E
SCHEMBL755549 0.85 ACHE (0.42) ACHENQO2NCEH1ALDH1A1KDM4E
SCHEMBL25087577 0.81 NCEH1 (0.52) ACHENQO2NCEH1ALDH1A1KDM4E
SCHEMBL8762135 0.81 NQO2 (0.43) ACHENQO2ALDH1A1KDM4EHPGD
SCHEMBL30971214 0.80 NQO2 (0.33) ACHENQO2ALDH1A1MAPTCA12
SCHEMBL6888521 0.79 CA2 (0.41) ACHENQO2ALDH1A1KDM4EMAPT
SCHEMBL19756690 0.77 TUBB1 (0.41) ACHENQO2NCEH1ALDH1A1L3MBTL1
SCHEMBL31466896 0.77 MAPT (0.38) ACHENQO2NCEH1ALDH1A1KDM4E
SCHEMBL28991121 0.77 ALDH1A1 (0.47) ACHEALDH1A1TSHRHSD17B10L3MBTL1
Methoxymethane SCHEMBL27713135 0.77 NCEH1 (0.42) NCEH1ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388583-A1 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE LTD (SG) 2025-12-25 US disclosed
EP-4559525-A2 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2025-05-28 EP disclosed
EP-4543881-A1 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION Engine Biosciences Pte. Ltd. (SG) 2025-04-30 EP disclosed
EP-4045039-B1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 MORPHIC THERAPEUTIC INC (US) 2025-04-23 EP disclosed
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 WO disclosed
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) MORPHIC THERAPEUTIC, INC. (US) 2024-05-30 US disclosed
WO-2023249563-A1 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-12-28 WO disclosed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 WO disclosed
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 WO disclosed
EP-1745033-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2007-01-24 EP disclosed
EP-1745039-A2 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES Neurogen Corporation (US) 2007-01-24 EP disclosed
EP-1745024-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2007-01-24 EP disclosed
WO-2006004589-A2 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES NEUROGEN CORPORATION (US) 2006-01-12 WO disclosed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 US disclosed
WO-2005110991-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2005-11-24 WO disclosed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 WO disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO 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 (4 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-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C3AR1, C5AR1 ACHE 2981/4885NQO2 1912/4885NCEH1 3765/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 ACHE 1700/4885NQO2 2607/4885NCEH1 1526/4885
US-20250388583-A1 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION PKMYT1, PKN1, PRKCB ACHE 4867/4885NQO2 3643/4885NCEH1 1315/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 ACHE 3106/4885NQO2 2095/4885NCEH1 2809/4885

“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.