SCHEMBL387316

SCHEMBL387316

[CH2]C1C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.32
CYP2A13 Q16696 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL1487952 0.69 EPHX2 (0.46) CYP2C9EPHX2HSD11B1CA1CA2
SCHEMBL2297553 0.69 EPHX2 (0.46) CYP2C9EPHX2HSD11B1CA1CA2
Adamantane SCHEMBL28908472 0.69 CYP2C9 (0.40) CYP2C9
Adamantane SCHEMBL29707714 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL9016497 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL12761 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
Adamantane SCHEMBL1527414 0.68 CYP2C9 (0.46) CYP2C9EPHX2HSD11B1
SCHEMBL2189873 0.67 CYP2C9 (0.50) CYP2C9EPHX2HSD11B1CYP2A13CA1
SCHEMBL3623904 0.67
SCHEMBL4609215 0.67 CYP2C9 (0.42) CYP2C9EPHX2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227720-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS AIX-MARSEILLE UNIVERSITE (FR) 2022-07-21 US claimed
WO-2020225330-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT HAMBURG (DE) 2020-11-12 WO claimed
EP-2203486-B9 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-08-01 EP claimed
US-8168556-B2 Racemoselective synthesis of ansa-metallocene compounds, ansa-metallocene compounds, catalysts comprising them, process for producing an olefin polymer by use of the catalysts, and olefin homo- and copolymers LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-05-01 US claimed
EP-2203486-B1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-02-29 EP claimed
CN-101910216-A Racemoselective synthesis of ansa-metallocene compounds, catalysts containing the same, process for preparing olefin polymers by using the catalysts and olefin homopolymers and copolymers NOVOLEN TECH HOLDINGS CV 2010-12-08 CN claimed
US-20100261860-A1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2010-10-14 US claimed
EP-2203486-A1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS Lummus Novolen Technology Gmbh (DE) 2010-07-07 EP claimed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US claimed
WO-2010009752-A1 CURABLE SILICONE COMPOSITIONS COMPRISING CYCLO-ALKYLPHOSPHITES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-01-28 WO claimed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0547687-A1 17B-N-Substituted adamantyl/norbonanyl carbamoyl-4-aza-5a-and-rost-1-en-3-ones and androstan-3 ones MERCK & CO. INC. (US) 1993-06-23 EP claimed
US-4925831-A TREATING OPPORTUNISTIC INFECTIONS IN IMMUNOCOMPROMISED HOSTS MERCK & CO., INC. (US) 1990-05-15 US claimed
US-4894392-A BACTERICIDES, FUNGICIDES, INFECTIONS MERCK & CO., INC. (US) 1990-01-16 US claimed
US-4217454-A Process for stereoselectively reducing indole derivatives ENDO LABORATORIES, INC. (US) 1980-08-12 US claimed
US-4174453-A HYDROGENATION, ACIDFICATION ENDO LABORATORIES, INC. (US) 1979-11-13 US claimed
US-3991199-A ANALGESICS AND SEDATIVES ENDO LABORATORIES, INC. (US) 1976-11-09 US claimed
US-3983123-A CNS ANTIDEPRESSANTS ENDO LABORATORIES, INC. (US) 1976-09-28 US claimed
US-3932650-A TRANQUILIZERS E. I. DU PONT DE NEMOURS & COMPANY (US) 1976-01-13 US claimed

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-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 CYP2C9 142/4885EPHX2 723/4885HSD11B1 3391/4885
US-20100261860-A1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS MAOA, SNCA, ARSA CYP2C9 827/4885EPHX2 4127/4885HSD11B1 385/4885
US-20220227720-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS DHODH, DHX15, DHX29 CYP2C9 2890/4885EPHX2 304/4885HSD11B1 785/4885

“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.