SCHEMBL9564556

SCHEMBL9564556

COc1ccc(CC(N)c2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C19 P33261 1/20 1.00
SLC6A4 P31645 1/20 0.66
LDHA P00338 1/20 0.52
ALDH1A1 P00352 2/20 0.50
IDO1 P14902 3/20 0.48
AGXT P21549 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL12706131 1.00 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19SLC6A4LDHA
SCHEMBL8066335 0.91 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19SLC6A4LDHA
SCHEMBL8056897 0.91 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19SLC6A4LDHA
SCHEMBL7039221 0.91 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19SLC6A4LDHA
SCHEMBL9201706 0.91 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19SLC6A4LDHA
SCHEMBL5680007 0.91 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19SLC6A4LDHA
SCHEMBL2368100 0.91 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19SLC6A4LDHA
SCHEMBL28542133 0.86 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19SLC6A4LDHA
SCHEMBL656814 0.81 SLC6A4 (0.73) CYP1A2CYP2D6CYP2C19SLC6A4LDHA
SCHEMBL7528408 0.81 SLC6A4 (0.73) CYP1A2CYP2D6CYP2C19SLC6A4LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5279311-A None JP disclosed
WO-2024235225-A1 SUBSTITUTED PYRIMIDINE-FUSED RING INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州泽璟生物制药股份有限公司 2024-11-21 WO disclosed
CN-118302425-A IRAK4 inhibitors and uses thereof 武汉人福创新药物研发中心有限公司 2024-07-05 CN disclosed
US-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 US disclosed
CN-117736210-A Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2024-03-22 CN disclosed
EP-3872061-B1 1-PHENYL-2-PHENYLETHANE DERIVATIVE KAO CORP (JP) 2023-12-27 EP disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
CN-116710452-A 4-amino-3- (4-phenoxyphenyl) -1, 3-dihydro-2H-imidazo [4,5-C ] pyridin-2-one derivatives and salts thereof 建新公司 2023-09-05 CN disclosed
CN-116390925-A AMPK activator 卡尔优普公司 2023-07-04 CN disclosed
US-11453632-B2 1-phenyl-2-phenylethane derivative KAO CORPORATION (JP) 2022-09-27 US disclosed
US-11453632-B2 1-phenyl-2-phenylethane derivative KAO CORPORATION (JP) 2022-09-27 US disclosed
CN-115023427-A Pyrazolotriazines 拜耳公司 2022-09-06 CN disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed
CN-112912363-B 1-phenyl-2-phenylethane derivatives 花王株式会社 2022-06-03 CN disclosed
US-20220009869-A1 1-PHENYL-2-PHENYLETHANE DERIVATIVE KAO CORPORATION (JP) 2022-01-13 US disclosed
US-20220009869-A1 1-PHENYL-2-PHENYLETHANE DERIVATIVE KAO CORPORATION (JP) 2022-01-13 US disclosed
WO-2020085373-A1 1-PHENYL-2-PHENYLETHANE DERIVATIVE 花王株式会社 2020-04-30 WO disclosed
JP-H05279311-A OXIME DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1993-10-26 JP 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 CYP1A2 495/4885CYP2D6 677/4885CYP2C19 935/4885
US-20220009869-A1 1-PHENYL-2-PHENYLETHANE DERIVATIVE ESR2, GPER1, ESR1 CYP1A2 405/4885CYP2D6 448/4885CYP2C19 889/4885
US-11453632-B2 1-phenyl-2-phenylethane derivative ESR2, GPER1, ESR1 CYP1A2 405/4885CYP2D6 448/4885CYP2C19 889/4885

“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.