SCHEMBL4644536

SCHEMBL4644536

CC1(O)Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HDAC9 Q9UKV0 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPA1 O75762 1/20 0.35
GAA P10253 1/20 0.35

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
Methyl Alcohol SCHEMBL28424110 0.97 HTR2A (0.35) HTR2AHDAC9POLBL3MBTL1TRPA1
Methane SCHEMBL29046923 0.97 HTR2A (0.35) HTR2AHDAC9POLBL3MBTL1TRPA1
SCHEMBL27498922 0.97 HTR2A (0.35) HTR2AHDAC9POLBL3MBTL1TRPA1
SCHEMBL13199764 0.84 ADRA2A (0.41) TRPA1
SCHEMBL11147882 0.80 ALDH1A1 (0.40)
SCHEMBL11154101 0.80 GAA (0.39) POLBL3MBTL1GAA
SCHEMBL8707641 0.77 HTR1A (0.40) HTR2A
SCHEMBL8162156 0.77 HDAC9 (0.39) HDAC9
SCHEMBL5917138 0.74 CD44 (0.38) GAA
SCHEMBL22271488 0.74 ADRA2A (0.39) TRPA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
EP-4048397-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THERAPEUTIC APPLICATIONS UNIV MICHIGAN REGENTS (US) 2023-08-16 EP disclosed
EP-4048397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents Of The University Of Michigan (US) 2022-08-31 EP disclosed
US-20220169580-A1 METHODS OF CARBON-CARBON BOND FRAGMENTATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-02 US disclosed
US-11312726-B2 Thienodiazepine derivatives and application thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-04-26 US disclosed
US-11220479-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-11 US disclosed
US-20210122712-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2021-04-29 US disclosed
WO-2021081141-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-04-29 WO disclosed
US-20210017190-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2021-01-21 US disclosed
EP-3686204-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2020-07-29 EP disclosed
WO-1994028034-A1 SUPPORTED METALLOCENE CATALYST SYSTEMS FOR THE POLYMERIZATION OF OLEFINS, PREPARATION AND USE THEREOF EXXON CHEMICAL PATENTS INC. (US) 1994-12-08 WO disclosed
US-5276208-A Catalysts for polymerization of olefins HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
EP-0563818-A2 High rigidity and high hardness polyolefin composition HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-06 EP disclosed
US-5243001-A Alunimoxane and metallocene catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-07 US disclosed
US-5239022-A Using aluminoxane and metallocene catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-24 US disclosed
US-5145819-A 2-SUBSTITUTED DISINDENYLMETALLOCENES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS CATALYSTS IN THE POLYMERIZATION OF OLEFINS HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
EP-0485820-A2 Process for preparing olefin polymers HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed
EP-0485823-A1 2-Substituted bisindenyl-metallocenes, process for their preparation and their use as catalysts for the polymerization of olefins HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed
EP-0485821-A1 Metallocenes with 2-substituted indenyl-derivates as ligands, process for their preparation and their use as catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed
EP-0485822-A2 Process for preparing high molecular weight polyolefines HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 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 (6 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-20210017190-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF BRD4, BRD3, BRD2 HTR2A 525/4885HDAC9 36/4885POLB 2257/4885
US-20220169580-A1 METHODS OF CARBON-CARBON BOND FRAGMENTATION CYCS, COX6C, COXFA4L2 HTR2A 4430/4885HDAC9 4098/4885POLB 336/4885
US-11220479-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same GBA1, GBA2, GAA HTR2A 4723/4885HDAC9 824/4885POLB 1087/4885
US-11312726-B2 Thienodiazepine derivatives and application thereof BRD4, BRD3, BRD2 HTR2A 525/4885HDAC9 36/4885POLB 2257/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 HTR2A 3936/4885HDAC9 194/4885POLB 1369/4885
US-20210122712-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME GBA1, GBA2, GAA HTR2A 4723/4885HDAC9 824/4885POLB 1087/4885

“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.