SCHEMBL4425323

SCHEMBL4425323

[C]1=C(C2=CCCC2)CCCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.30

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
SCHEMBL5960582 0.98
SCHEMBL6446235 0.96 PSMB5 (0.33) TYMP
SCHEMBL13858383 0.94 PSMB5 (0.32) TYMP
SCHEMBL7402470 0.94 PSMB5 (0.32) TYMP
SCHEMBL3082501 0.94 PSMB5 (0.32) TYMP
SCHEMBL4796621 0.94 PSMB5 (0.32) TYMP
SCHEMBL3796622 0.94 PSMB5 (0.32) TYMP
SCHEMBL604265 0.93 TYMP (0.31) TYMP
SCHEMBL5808874 0.91 ALDH1A1 (0.35) TYMP
SCHEMBL9815606 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777558-A Compound, organic light-emitting device including the same, and flat-panel display 三星显示有限公司 2016-07-20 CN claimed
US-6080763-A INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES, E.G., TUMOR NECROSIS FACTOR AND INTERLEUKIN-1; USEFUL TO TREAT CHRONIC INFLAMMATORY DISEASE; AUTOIMMUNE DISEASES, E.G. RHEUMATOID ARTHRITIS, OSTEOPOROSIS; PYRAZOLYLUREAS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-06-27 US claimed
US-20240059681-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2024-02-22 US disclosed
WO-2021059017-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 WO disclosed
CN-105431149-B Neuroprotective multifunctional antioxidants and their monofunctional analogs 彼得·F·卡罗 2019-06-11 CN disclosed
EP-2956140-B1 NEUROPROTECTIVE MULTIFUNCTIONAL ANTIOXIDANTS AND THEIR MONOFUNCTIONAL ANALOGS KADOR PETER F (US) 2018-07-11 EP disclosed
US-9775829-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2017-10-03 US disclosed
US-20160374990-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2016-12-29 US disclosed
EP-3066094-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-09-14 EP disclosed
CN-105777558-A Compound, organic light-emitting device including the same, and flat-panel display 三星显示有限公司 2016-07-20 CN disclosed
CN-105732562-A COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE COMPOUND, AND PANEL DISLAY DEVICE COMPRISING THE ORGANIC LIGHT-EMITTING DEVICE 三星显示有限公司 2016-07-06 CN disclosed
US-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-06-22 US disclosed
JP-2004534002-A 2004-11-11 JP disclosed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-0251164-B1 NEW CHIRAL PHOSPHINOPYRROLIDINE COMPOUNDS AND THEIR USE FOR ASYMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS Achiwa, Kazuo (JP) 1992-12-16 EP disclosed
US-5075384-A Air-drying, curable protective coatings comprising an allyl alcohol-styrene copolymer carbamylated by an unsaturated isocyanate, an acrylic monomer and an allyl monomer; gloss; toughness MONSANTO (US) 1991-12-24 US disclosed
US-5030696-A Air- or heat-curable protective coatings of unsaturated isocyanate-modified styrene-allyl alcohol copolymer, an acrylic compound and an allyl compound; furniture; toughness MONSANTO COMPANY (US) 1991-07-09 US disclosed
US-5026771-A Coating compositions containing ethylenically unsaturated carbamates MONSANTO COMPANY (US) 1991-06-25 US disclosed
EP-0251164-A2 New chiral phosphinopyrrolidine compounds and their use for asymetric synthesis of optically active compounds Achiwa, Kazuo (JP) 1988-01-07 EP disclosed
US-4216232-A Pharmaceutical compositions BEECHAM GROUP LIMITED (GB) 1980-08-05 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 (4 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-20030225111-A1 Therapy VEGFA, AQP1, FLT1 TYMP 1739/4885
US-20240059681-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF DPP4, DPP3, DPP9 TYMP 4172/4885
US-20160374990-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C TYMP 4108/4885
US-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K5, MAP3K19 TYMP 578/4885

“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.