SCHEMBL680718

SCHEMBL680718

Fc1cccc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.56
TRPA1 O75762 2/20 0.51
PIK3CD O00329 1/20 0.46
RHEB Q15382 8/20 0.43
MAPK1 P28482 2/20 0.43
ADRB1 P08588 1/20 0.43
HTR6 P50406 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 1/20 0.42
GPR84 Q9NQS5 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
ADK P55263 1/20 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
SCHEMBL30065220 1.00 AHR (0.56) AHRTRPA1PIK3CDRHEBMAPK1
SCHEMBL18805064 1.00 AHR (0.56) AHRTRPA1PIK3CDRHEBMAPK1
Biphenyl SCHEMBL27962664 0.90 AHR (0.47) AHRTRPA1PIK3CDRHEBMAPK1
Pyridine SCHEMBL28520362 0.87 PIK3CD (0.53) AHRTRPA1PIK3CDRHEBMAPK1
SCHEMBL8176338 0.82 AHR (0.68) AHRTRPA1PIK3CDMAPK1MEN1
SCHEMBL7662528 0.82 AHR (0.41) AHRTRPA1RHEBMAPK1MAPT
SCHEMBL6330094 0.81 MAPK14 (0.53) AHRTRPA1PIK3CDRHEBMAPK14
SCHEMBL6324285 0.81 PIK3CD (0.51) AHRTRPA1PIK3CDRHEBMAPK1
SCHEMBL2780172 0.80 PIK3CD (0.50) AHRTRPA1PIK3CDMAPK14GPR84
Tert-Butyl Formate SCHEMBL27772019 0.80 TRPA1 (0.41) AHRTRPA1PIK3CDRHEBMAPK1

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 1144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4526426-A2 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS Danmarks Tekniske Universitet (DK) 2025-03-26 EP claimed
CN-118561735-A Compound with anti-glioma activity, preparation method and application thereof 海南大学 2024-08-30 CN claimed
CN-118125960-A Bisindole 3-ketone compound, application and preparation method thereof 云南农业大学 2024-06-04 CN claimed
CN-118063373-A 3,3' -Bisindole compound and application and preparation method thereof 云南农业大学 2024-05-24 CN claimed
WO-2023222879-A2 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS DANMARKS TEKNISKE UNIVERSITET (DK) 2023-11-23 WO claimed
CN-114394963-B Isoxazoline compound, preparation method and application 西北农林科技大学 2023-05-23 CN claimed
CN-114805664-B Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2023-04-14 CN claimed
CN-115232052-A Tetraindolylmethane compound and preparation method and application thereof 南京工业大学 2022-10-25 CN claimed
CN-112574093-B Novel green method for preparing 3-diaryl methyl substituted indole compound 湖南理工学院 2022-10-04 CN claimed
CN-114805664-A Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-29 CN claimed
US-6989341-B2 Halogen substituted catalyst system for olefin polymerization UNIVATION TECHNOLOGIES, LLC (US) 2006-01-24 US claimed
CN-1665849-A Halogenated catalyst system for olefin polymerization UNIVATION TECHNOLOGIES (US) 2005-09-07 CN claimed
CN-1665850-A Heterocyclic nitrogen-containing activators and catalyst systems for olefin polymerization UNIVATION TECHNOLOGIES (US) 2005-09-07 CN claimed
US-6930070-B2 Heterocyclic nitrogen-containing activators and catalyst systems for olefin polymerization UNIVATION TECHNOLOGIES, LLC (US) 2005-08-16 US claimed
US-20050075242-A1 Heterocyclic nitrogen-containing activators and catalyst systems for olefin polymerization UNIVATION TECHNOLOGIES, LLC 2005-04-07 US claimed
EP-1517932-A2 HETEROCYCLIC NITROGEN-CONTAINING ACTIVATORS AND CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION Univation Technologies LLC (US) 2005-03-30 EP claimed
EP-1517931-A1 HALOGEN SUBSTITUTED CATALYST SYSTEM FOR OLEFIN POLYMERIZATION Univation Technologies, LLC (US) 2005-03-30 EP claimed
US-20040127348-A1 Halogen substituted catalyst system for olefin polymerization UNIVATION TECHNOLOGIES, LLC 2004-07-01 US claimed
WO-2004003037-A1 HALOGEN SUBSTITUTED CATALYST SYSTEM FOR OLEFIN POLYMERIZATION UNIVATION TECHNOLOGIES, LLC. (US) 2004-01-08 WO claimed
WO-2004003032-A2 HETEROCYCLIC NITROGEN-CONTAINING ACTIVATORS AND CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION UNIVATION TECHNOLOGIES, LLC (US) 2004-01-08 WO 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 (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-20050075242-A1 Heterocyclic nitrogen-containing activators and catalyst systems for olefin polymerization NBAS, NIT2, MYB AHR 164/4885TRPA1 1123/4885PIK3CD 1060/4885

“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.