SCHEMBL3799544

SCHEMBL3799544

CCCCc1coc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.49
MAOB P27338 6/20 0.47
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTNR1A P48039 1/20 0.40
MAOA P21397 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
IL4I1 Q96RQ9 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL669427 0.95 CA2 (0.47) CA2MAOBPSMB8PSMB5DRD2
SCHEMBL30956093 0.93 CA2 (0.46) CA2MAOBPSMB8PSMB5
SCHEMBL1252500 0.89 CA2 (0.51) CA2MAOBPSMB8PSMB5DRD2
SCHEMBL3277216 0.82 MAOB (0.61) CA2MAOBMAOAPTPN1CYP17A1
SCHEMBL5232085 0.81 MAOB (0.47) CA2MAOBPSMB8PSMB5MAOA
SCHEMBL6002749 0.81 MAOB (0.47) CA2MAOBPSMB8PSMB5MAOA
SCHEMBL5239989 0.81 MAOB (0.56) CA2MAOBPSMB8PSMB5DRD2
SCHEMBL5237537 0.81 CA2 (0.49) CA2MAOBPSMB8PSMB5SLC6A4
SCHEMBL8283499 0.81 PSMB5 (0.47) CA2MAOBPSMB8PSMB5MAOA
SCHEMBL1252407 0.80 CA2 (0.59) CA2MAOBPSMB8PSMB5MAOA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536623-A Synthetic method of 3-cyclotetramethylene benzofuran derivative 南通大学 2022-12-30 CN claimed
CN-115536623-A Synthetic method of 3-cyclotetramethylene benzofuran derivative 南通大学 2022-12-30 CN disclosed
CN-115536623-A Synthetic method of 3-cyclotetramethylene benzofuran derivative 南通大学 2022-12-30 CN disclosed
CN-115536623-A Synthetic method of 3-cyclotetramethylene benzofuran derivative 南通大学 2022-12-30 CN disclosed
US-9871211-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2018-01-16 US disclosed
US-20170338423-A9 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2017-11-23 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (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-20170338423-A9 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 CA2 450/4885MAOB 2897/4885PSMB8 4431/4885

“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.