SCHEMBL827010

SCHEMBL827010

COc1cccc2sccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL28744577 0.94 CA2 (0.44) CA2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5584260 0.80 PTPN1 (0.36) P2RX7MEN1KMT2AADRA2AADRA2B
SCHEMBL827357 0.79 ALDH1A1 (0.45) ALDH1A1TDP1MAPTTP53KDM4E
SCHEMBL3794441 0.79 MCHR1 (0.37) CA2CA1CA7CA9ALDH1A1
SCHEMBL14993037 0.78 ADRA2A (0.37) LMNAADRA2AADRA2BSLC6A2SLC6A4
SCHEMBL11766332 0.77 HDAC3 (0.33) CA2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3791996 0.76 CYP2A6 (0.45) CYP2A6MEN1KMT2A
SCHEMBL5742360 0.76 MAPK1 (0.44) ALDH1A1TDP1MAPTKDM4ELMNA
SCHEMBL20959605 0.76 ADRA2A (0.40) MAPTADRA2AADRA2BSLC6A2SLC6A4
SCHEMBL914916 0.74 NR2E1 (0.37) ALDH1A1TDP1TP53KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605378-B Thiophene condensed ring compound and synthetic method and application thereof 华中科技大学 2023-11-14 CN disclosed
US-20230159766-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
EP-4027353-A1 CONDUCTIVE MATERIAL AND SUBSTRATE Shin-Etsu Chemical Co., Ltd. (JP) 2022-07-13 EP disclosed
CN-114605378-A Thiophene condensed ring compound and synthesis method and application thereof 华中科技大学 2022-06-10 CN disclosed
US-20210380738-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-09 US disclosed
US-10851188-B2 Polymer compound for conductive polymer and method for producing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-12-01 US disclosed
US-20200247926-A1 POLYMERIZABLE MONOMER, POLYMER COMPOUND FOR CONDUCTIVE POLYMER, AND METHOD FOR PRODUCING THE POLYMER COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-08-06 US disclosed
EP-3067897-B1 CONDUCTIVE MATERIAL AND SUBSTRATE SHINETSU CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3115413-B1 CONDUCTIVE POLYMER COMPOSITION, COATED ARTICLE, AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2020-05-06 EP disclosed
US-10559397-B2 Conductive polymer composite and substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-11 US disclosed
US-5512684-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo B!-thiophenes ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed
EP-0693488-A1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes ELI LILLY AND COMPANY (US) 1996-01-24 EP disclosed
EP-0129478-B1 2-SULFAMOYLBENZO (B) THIOPHENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1990-01-17 EP disclosed
US-4788192-A TOPICALLY APPLYING; FOR GLAUCOMA MERCK & CO., INC. (US) 1988-11-29 US disclosed
US-4668697-A Elevated intraocular pressure lowering benzo-[b]-thiophene-2-sulfonamide derivatives, compositions, and method of use therefor MERCK & CO., INC. (US) 1987-05-26 US disclosed
US-4576632-A HERBICIDES, PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-03-18 US disclosed
US-4494979-A HERBICIDES;PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-01-22 US disclosed
EP-0129478-A2 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-12-27 EP disclosed
EP-0071441-A2 Benzofuran sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-02-09 EP disclosed
EP-0005652-A2 Electrophoretic migration imaging process and dispersion EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1979-11-28 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-20200247926-A1 POLYMERIZABLE MONOMER, POLYMER COMPOUND FOR CONDUCTIVE POLYMER, AND METHOD FOR PRODUCING THE POLYMER COMPOUND HCN4, HCN2, HCN3 CA2 314/4885HDAC3 1799/4885HDAC4 2790/4885

“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.