Sugi Predict

Sugi Predict / Compounds / SCHEMBL23005

SCHEMBL23005

SCHEMBL23005

CC(C)(C)Cc1cc[c]cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.52
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SLC6A2 P23975 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ ESR2 Q92731 2/20 0.32

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
SCHEMBL28040853 0.97 ESR1 (0.50) ESR1THRATHRBSLC6A2TAAR1
SCHEMBL28040364 0.95 ESR1 (0.48) ESR1THRATHRBSLC6A2TAAR1
SCHEMBL12815396 0.86 ESR1 (0.50) ESR1THRATHRBSLC6A2TAAR1
SCHEMBL1417168 0.85 ESR1 (0.38) ESR1SLC6A2TAAR1HTR2ASLC6A4
SCHEMBL7548637 0.80 SLC6A2 (0.60) ESR1SLC6A2TAAR1HTR2ASLC6A4
SCHEMBL1031401 0.80 ESR1 (0.38) ESR1SLC6A2TAAR1HTR2ASLC6A4
SCHEMBL6685103 0.80 ESR1 (0.74) ESR1THRATHRBSLC6A2TAAR1
SCHEMBL6893902 0.78 ESR1 (0.34) ESR1SLC6A2TAAR1HTR2ASLC6A4
SCHEMBL3813415 0.77 ESR1 (0.39) ESR1SLC6A2TAAR1ESR2
SCHEMBL4430003 0.77 MEN1 (0.46) ESR1SLC6A2TAAR1LMNAESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220393118-A1 TETRADENTATE LIGANDS, GOLD(III) COMPLEXES, PREPARATION METHOD AND USE THEREOF CHE, CHI MING (CN) 2022-12-08 — — US claimed
CN-112552256-B Organic electroluminescent material and organic electroluminescent device using same 南京高光半导体材料有限公司 2022-10-25 — — CN claimed
CN-112442052-B High-efficiency and long-life blue fluorescent doped material, application thereof and organic electroluminescent device 南京高光半导体材料有限公司 2022-08-26 — — CN claimed
CN-112442053-B Blue fluorescent doping material with good thermal stability and high efficiency and organic electroluminescent device 南京高光半导体材料有限公司 2022-07-12 — — CN claimed
EP-4017936-A1 TETRADENTATE LIGANDS, GOLD(III) COMPLEXES, PREPARATION METHOD AND USE THEREOF Che, Chi Ming (HK) 2022-06-29 — — EP claimed
CN-112851649-A Organic electroluminescent compound containing multi-heterocyclic structure, organic electroluminescent device and application 南京高光半导体材料有限公司 2021-05-28 — — CN claimed
CN-112552255-A Organic electroluminescent material containing triphenylamine structure and organic electroluminescent device using same 南京高光半导体材料有限公司 2021-03-26 — — CN claimed
CN-112552256-A Organic electroluminescent material and organic electroluminescent device using same 南京高光半导体材料有限公司 2021-03-26 — — CN claimed
CN-112442052-A High-efficiency and long-life blue fluorescent doped material, application thereof and organic electroluminescent device 南京高光半导体材料有限公司 2021-03-05 — — CN claimed
CN-112442053-A Blue fluorescent doping material with good thermal stability and high efficiency and organic electroluminescent device 南京高光半导体材料有限公司 2021-03-05 — — CN claimed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 — — EP claimed
CN-1259948-A 6,7-disubstituted-4-aminopyrido [2,3-D] pyrimidine compounds ABBOTT LAB (US) 2000-07-12 — — CN claimed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO claimed
EP-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 — — EP claimed
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 — — US claimed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 — — EP claimed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 — — EP claimed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 — — WO claimed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 — — WO claimed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 — — 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-20220393118-A1 TETRADENTATE LIGANDS, GOLD(III) COMPLEXES, PREPARATION METHOD AND USE THEREOF PDCD2L, TTL, TTLL12 ESR1 3300/4885THRA 178/4885THRB 163/4885

“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.