SCHEMBL205947

SCHEMBL205947

Nc1cc(N)cc(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP6 P55212 1/20 0.36
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
Hydrochloric Acid SCHEMBL205946 0.97 ACHE (0.46) ACHETOP2ATOP2BTSHRKDM4E
SCHEMBL1172624 0.94 ACHE (0.48) ACHETOP2ATOP2BTSHRKDM4E
SCHEMBL18407678 0.84 ACHE (0.40) ACHETOP2ATOP2BTSHRKDM4E
SCHEMBL4936785 0.84 ACHE (0.67) ACHETOP2ATOP2BKDM4ECASP6
SCHEMBL19078822 0.84 LOXL2 (0.40) ACHETOP2ATOP2BTSHRKDM4E
SCHEMBL23429131 0.82 ACHE (0.39) ACHETOP2ATOP2BTSHRKDM4E
SCHEMBL15651082 0.82 ACHE (0.39) ACHETOP2ATOP2BKDM4ECASP6
SCHEMBL790120 0.82 ACHE (0.39) ACHETOP2ATOP2BKDM4ECASP6
SCHEMBL17064613 0.82 CYP4F2 (0.44) ACHETOP2ATOP2BKDM4ECASP6
SCHEMBL3074715 0.82 CYP3A4 (0.55) ACHETOP2ATOP2BTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119604810-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2025-03-11 CN claimed
WO-2025013658-A1 EMULSION COMPOSITION UBE株式会社 2025-01-16 WO claimed
EP-3642262-B1 CURABLE POLYIMIDES DESIGNER MOLECULES INC (US) 2024-12-25 EP claimed
WO-2024029576-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2024-02-08 WO claimed
CN-116917798-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2023-10-20 CN claimed
WO-2022181311-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2022-09-01 WO claimed
US-20210301133-A1 CURABLE POLYIMIDES DESIGNER MOLECULES INC (US) 2021-09-30 US claimed
CN-111108144-A Curable polyimide 设计分子有限公司 2020-05-05 CN claimed
EP-3642262-A1 CURABLE POLYIMIDES Designer Molecules, Inc. (US) 2020-04-29 EP claimed
WO-2018237377-A1 CURABLE POLYIMIDES DESIGNER MOLECULES, INC (US) 2018-12-27 WO claimed
EP-1341503-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-02-13 EP claimed
US-6835212-B2 Compound with a nucleophilic reaction center, aryl alcohol or benzyl alcohol derivatives and an oxidizing enzyme WELLA AKTIENGESELLSCHAFT (DE) 2004-12-28 US claimed
EP-1341503-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-09-10 EP claimed
US-20030041391-A1 Agent and method for dyeing keratin fibres Wella GmbH (DE) 2003-03-06 US claimed
WO-2002047633-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-06-20 WO claimed
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO claimed
WO-2026100662-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2026-05-15 WO disclosed
CN-122012118-A Liquid crystal alignment agent for photoalignment method, liquid crystal photoalignment film, and liquid crystal display element 奇美实业股份有限公司 2026-05-12 CN disclosed
US-4948507-A POLYAMIDES BY REACTING A POLYAMINE AND POLYACYL CHLORIDE INTHE PRESENCE OF AN AMINE OR QUATERNARY SALT; DESALTING BRINES; EFFICIENCY HYDRANAUTICS CORPORATION (US) 1990-08-14 US disclosed
EP-0228248-A2 Composite semipermeable membranes NITTO DENKO CORPORATION (JP) 1987-07-08 EP 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 (1 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-20030041391-A1 Agent and method for dyeing keratin fibres KRT18, AKR7A2, ADH5 ACHE 338/4885TOP2A 1984/4885TOP2B 1486/4885

“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.