SCHEMBL3033688

SCHEMBL3033688

O=C1c2ccccc2CC1Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.77
SIGMAR1 Q99720 2/20 0.63
METAP1 P53582 4/20 0.58
HDAC1 Q13547 1/20 0.55
MAOB P27338 1/20 0.55
ACHE P22303 6/20 0.53
HTR1A P08908 1/20 0.51

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
SCHEMBL12269444 0.87 ACHE (0.67) CYP19A1SIGMAR1METAP1HDAC1MAOB
SCHEMBL3314894 0.87 CYP19A1 (1.00) CYP19A1SIGMAR1METAP1HDAC1
Bromide SCHEMBL2334441 0.86 ACHE (0.68) CYP19A1SIGMAR1METAP1HDAC1MAOB
Hydrochloric Acid SCHEMBL2332692 0.86 ACHE (0.66) CYP19A1SIGMAR1METAP1HDAC1MAOB
SCHEMBL30275056 0.84 CYP19A1 (0.80) CYP19A1SIGMAR1MAOBACHEHTR1A
SCHEMBL3761876 0.84 CYP19A1 (0.80) CYP19A1SIGMAR1MAOBACHEHTR1A
SCHEMBL28733987 0.84 CYP19A1 (0.80) CYP19A1SIGMAR1MAOBACHEHTR1A
SCHEMBL8064902 0.83 CYP19A1 (0.59) CYP19A1SIGMAR1METAP1HDAC1ACHE
SCHEMBL19748689 0.83 CYP19A1 (0.63) CYP19A1SIGMAR1METAP1HDAC1ACHE
SCHEMBL10033952 0.81 SIGMAR1 (0.70) CYP19A1SIGMAR1MAOBACHEHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854701-A Benzofuranoxapine compound and synthesis method thereof 江苏师范大学 2023-10-10 CN disclosed
WO-2023122754-A1 PROCESSES AND INTERMEDIATES FOR PREPARING GB13, GB22 AND HIMGALINE THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed
CN-112961086-B 2-methylene-1-indanone derivative and synthesis method thereof 齐鲁工业大学 2022-10-21 CN disclosed
CN-111499503-B Method for synthesizing alpha-alkylated ketone in water 南京理工大学 2022-04-08 CN disclosed
CN-112961086-A 2-methylene-1-indanone derivative and synthesis method thereof 齐鲁工业大学 2021-06-15 CN disclosed
CN-111499503-A Method for synthesizing α -alkylated ketone in water 南京理工大学 2020-08-07 CN disclosed
CN-106478325-B A method of synthesis alpha-alkyl ketone 南京理工大学 2019-06-25 CN disclosed
CN-105439787-B Method for synthesizing α -alkyl ketone 南京理工大学 2018-02-13 CN disclosed
WO-2017223160-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS THE UNIVERSITY OF TOLEDO (US) 2017-12-28 WO disclosed
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
EP-1613315-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES Novartis AG (CH) 2006-01-11 EP disclosed
CN-1709860-A Benzal indone and benzyl indone derivative(s), and its preparing method and use UNIV ZHEJIANG (CN) 2005-12-21 CN disclosed
EP-1261588-B1 IMIDAZOLE COMPOUNDS AS Alpha2-ADRENOCEPTORS ANTAGONISTS ORION CORP (FI) 2004-10-20 EP disclosed
WO-2004087142-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES NOVARTIS AG (CH) 2004-10-14 WO disclosed
US-20030191279-A1 Urea derivatives useful as anticancer agents GOLDSTEIN STEVEN WAYNE (US) 2003-10-09 US disclosed
WO-2001051472-A9 NEW IMIDAZOLE DERIVATIVES ORION CORP (FI) 2003-01-23 WO disclosed
EP-1261588-A1 NEW IMIDAZOLE DERIVATIVES ORION CORPORATION (FI) 2002-12-04 EP disclosed
US-6388090-B2 IMIDAZOLE DERIVATIVES CONTAINING BICYCLIC AROMATIC OR AN HETEROCYCLIC RING FUSED WITH BENZENE EXHIBIT AFFINITY FOR ALPHA2 ADRENOCEPTORS SO TREATS THE DISEASE AFFECTED BY ALPHA2 ADRENOCEPTORS, E.G. NUROLOGICAL, PSYCHIATRIC OR COGNITION ORION CORPORATION (FI) 2002-05-14 US disclosed
US-20010056109-A1 Imidazole derivatives ORION CORPORATION (FI) 2001-12-27 US disclosed
WO-2001051472-A1 NEW IMIDAZOLE DERIVATIVES ORION CORPORATION (FI) 2001-07-19 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 (2 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-20010056109-A1 Imidazole derivatives ADRB2, ADRB1, ADRA1D CYP19A1 1178/4885SIGMAR1 82/4885METAP1 2475/4885
US-20030191279-A1 Urea derivatives useful as anticancer agents CCNA1, CCNE1, CCND1 CYP19A1 2314/4885SIGMAR1 2522/4885METAP1 808/4885

“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.