SCHEMBL10000875

SCHEMBL10000875

CC1CCc2ccccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.66
CYP19A1 P11511 3/20 0.51
CES1 P23141 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL12676173 1.00 ACHE (0.66) ACHECYP19A1CES1NPC1RAB9A
SCHEMBL25001243 1.00 ACHE (0.66) ACHECYP19A1CES1NPC1RAB9A
SCHEMBL677613 1.00 ACHE (0.66) ACHECYP19A1CES1NPC1RAB9A
SCHEMBL677669 0.89 ACHE (0.61) ACHECYP19A1CES1NPC1RAB9A
SCHEMBL354925 0.79 ACHE (1.00) ACHECYP19A1TSHR
SCHEMBL4938272 0.79 ACHE (1.00) ACHECYP19A1TSHR
SCHEMBL9752693 0.79 ACHE (1.00) ACHECYP19A1TSHR
SCHEMBL13866434 0.79 ACHE (1.00) ACHECYP19A1TSHR
SCHEMBL13039620 0.79 DRD2 (0.56) ACHECYP19A1CES1DRD2HTR2A
SCHEMBL28793725 0.78 ACHE (0.44) ACHEALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185433-B Preparation method of menadione sodium bisulfate 新发药业有限公司 2023-09-08 CN disclosed
CN-113185433-B Preparation method of menadione sodium bisulfate 新发药业有限公司 2023-09-08 CN disclosed
CN-115974850-A Compound serving as AKR1C3 inhibitor and preparation method and application thereof 中国药科大学 2023-04-18 CN disclosed
US-11160785-B2 Methods and compositions for improving cognitive function AGENEBIO INC. (US) 2021-11-02 US disclosed
CN-113185433-A Preparation method of menadione sodium bisulfite 新发药业有限公司 2021-07-30 CN disclosed
CN-113185433-A Preparation method of menadione sodium bisulfite 新发药业有限公司 2021-07-30 CN disclosed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
EP-3492465-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2019-06-05 EP disclosed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
EP-3380587-A2 PROCESS OF UPGRADING LIGHT HYDROCARBONS AND OXYGENATES PRODUCED DURING CATALYTIC PYROLYSIS OF BIOMASS Inaeris Technologies, LLC (US) 2018-10-03 EP disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-20060172992-A1 Therapeutic agent for overactive bladder resulting from cerebral infarction EISAI CO., LTD. (JP) 2006-08-03 US disclosed
US-20060135507-A1 Therapeutic agent for overactive bladder involved in aging EISAI R & D MANAGEMENT CO., LTD. (JP) 2006-06-22 US disclosed
WO-2004034963-A2 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2004-04-29 WO disclosed
EP-0311086-A1 N-fluorinated sulfon amides, process for their preparation and their use CIBA-GEIGY AG (CH) 1989-04-12 EP disclosed
EP-0103990-A1 Process for making diarylamines UNIROYAL, INC. (US) 1984-03-28 EP disclosed
US-4431841-A REACTING PRIMARY AROMATIC AMINES AND ALICYCLIC KETONES USING AN ACID PROMOTER AND A PLATINUM CATALYST UNIROYAL, INC. (US) 1984-02-14 US disclosed
US-4355180-A Preparation of primary aromatic amines from cyclic alcohols and/or ketones BASF AKTIENGESELLSCHAFT (DE) 1982-10-19 US disclosed
EP-0050229-A1 Process for the preparation of primary aromatic amines from cyclic alcohols and/or ketones BASF Aktiengesellschaft (DE) 1982-04-28 EP disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 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 (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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT ACHE 1/4885CYP19A1 1004/4885CES1 109/4885
US-20060135507-A1 Therapeutic agent for overactive bladder involved in aging ACHE, BPHL, GLA ACHE 1/4885CYP19A1 3032/4885CES1 2026/4885
US-11160785-B2 Methods and compositions for improving cognitive function BACE2, BACE1, GRIN2A ACHE 4/4885CYP19A1 2172/4885CES1 1013/4885
US-20060172992-A1 Therapeutic agent for overactive bladder resulting from cerebral infarction ACHE, CHAT, BCHE ACHE 1/4885CYP19A1 3635/4885CES1 2300/4885

“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.