SCHEMBL2324920

SCHEMBL2324920

Br[C]1CC=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.35
PTPRC P08575 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN1 P18031 1/20 0.35
ACHE P22303 1/20 0.35
CES1 P23141 1/20 0.35
RECQL P46063 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35

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
SCHEMBL7214854 0.76 ALDH1A1 (0.38) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL29385734 0.73 CES1 (0.45) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL29211531 0.73 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL30041234 0.73 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL219752 0.73 TSHR (0.36) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL5894113 0.73 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL2926382 0.73 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL2926757 0.73 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL1941287 0.73 ALDH1A1 (0.40) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL29422894 0.73 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US claimed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US claimed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP claimed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO claimed
CN-117660992-A Synthesis method of organosilicon compound containing Si-O bond 新疆大学 2024-03-08 CN disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO disclosed
US-7459573-B2 Method of purifying epoxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-02 US disclosed
EP-1962892-A2 INHIBITION OF CELL PROLIFERATION University of South Florida (US) 2008-09-03 EP disclosed
US-20080081921-A1 Method of purifying epoxy compound SUMITOMO CHEMICAL COMPANY, LIMITED 2008-04-03 US disclosed
EP-1892242-A1 Method of purifying 3-phenyl-3,4-epoxy-2-butanol derivatives by liquid-liquid extraction Sumitomo Chemical Company, Limited (JP) 2008-02-27 EP disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
WO-2007062222-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2007-05-31 WO disclosed
WO-2006011879-A1 PROCESS FOR FORMING AN AROMATIC AMINE COMPOUND EASTMAN KODAK COMPANY (US) 2006-02-02 WO 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 (7 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-20070254318-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS ALDH1A1 2319/4885HSD17B10 4392/4885MEN1 1416/4885
US-20080081921-A1 Method of purifying epoxy compound RER1, ELP1, AQP1 ALDH1A1 297/4885HSD17B10 1208/4885MEN1 2962/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ALDH1A1 151/4885HSD17B10 339/4885MEN1 4766/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885HSD17B10 339/4885MEN1 4766/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A ALDH1A1 344/4885HSD17B10 199/4885MEN1 3585/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS ALDH1A1 2319/4885HSD17B10 4392/4885MEN1 1416/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A ALDH1A1 344/4885HSD17B10 199/4885MEN1 3585/4885

“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.