SCHEMBL9155402

SCHEMBL9155402

c1ccc2c3c(cnc2c1)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GPR3 P46089 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
BCHE P06276 6/20 0.42
ACHE P22303 5/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
ABCC4 O15439 1/20 0.42
CACNA1G O43497 1/20 0.42

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
SCHEMBL17409929 0.81 KIF11 (0.43) KDM4EGPR3HTR3EHTR3BHTR3A
SCHEMBL29997743 0.78 GPR3 (0.48) KDM4EGPR3BCHEACHEADORA3
SCHEMBL21187770 0.76 MAPT (0.54) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL8218623 0.75 ACHE (0.43) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL17484147 0.75 HTR2C (0.44) KDM4EGPR3
SCHEMBL9097938 0.75 ACHE (0.48) KDM4EACHETSHRALDH1A1HSD17B10
Phenanthridine SCHEMBL27966445 0.75 KDM4E (0.56) KDM4EGPR3HTR3EHTR3BHTR3A
SCHEMBL17413634 0.75 KDM4E (0.43) KDM4EGPR3HTR3EHTR3BHTR3A
SCHEMBL4681814 0.75 MAPT (0.39) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL17413693 0.75 KDM4E (0.43) KDM4EGPR3HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53068780-A None JP disclosed
US-11616203-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-03-28 US disclosed
US-20190319198-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-10-17 US disclosed
US-20140088066-A1 PLATINUM COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER BLEND THERAPEUTICS (US) 2014-03-27 US disclosed
WO-2014043243-A2 PLATINUM COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER BLEND THERAPEUTICS (US) 2014-03-20 WO disclosed
US-5442065-A Antitumor agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-15 US disclosed
EP-0594624-A1 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1994-05-04 EP disclosed
EP-0594624-A4 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE. SCRIPPS CLINIC RES (US) 1994-02-21 EP disclosed
WO-1992002522-A1 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-02-20 WO disclosed
JP-S5368780-A PREPARATION OF 7,8,9,10-TETRAHYDROPHENANTHRIDINE-3-ACETIC ACIDS TEIJIN LTD 1978-06-19 JP 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 (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-11616203-B2 Organic electroluminescent materials and devices ICOSLG, APOL1, OXA1L KDM4E 3691/4885GPR3 2321/4885HTR3E 4069/4885
US-20140088066-A1 PLATINUM COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER APEX1, DPYD, VHL KDM4E 2370/4885GPR3 3910/4885HTR3E 3783/4885
US-20190319198-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ICOSLG, APOL1, OXA1L KDM4E 3691/4885GPR3 2321/4885HTR3E 4069/4885

“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.