SCHEMBL1609473

SCHEMBL1609473

C[CH]c1ccc(CCCCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
TACR2 P21452 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
SHBG P04278 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSPD1 P10809 1/20 0.55
ADRB3 P13945 1/20 0.55
HTR2C P28335 1/20 0.55
HSPE1 P61604 1/20 0.55
HIF1A Q16665 1/20 0.55
TST Q16762 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL7530228 0.98 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL698307 0.98 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1611470 0.98 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9753197 0.98 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL677468 0.98 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2915274 0.98 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL329513 0.93 CA2 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1610537 0.84 LPL (0.46) ALDH1A1LPLLIPGTHRBMGLL
SCHEMBL181089 0.83 ESR1 (0.73) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL8371449 0.83 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1367439-B1 Radiation-sensitive composition FUJIFILM CORP (JP) 2012-08-01 EP disclosed
EP-2399168-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND MOLD PREPARATION METHOD AND RESIST FILM USING THE SAME FUJIFILM Corporation (JP) 2011-12-28 EP disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
WO-2010150917-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND MOLD PREPARATION METHOD AND RESIST FILM USING THE SAME FUJIFILM CORPORATION (JP) 2010-12-29 WO disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-1467251-B1 Positive resist composition FUJIFILM CORP (JP) 2010-09-08 EP disclosed
EP-1465010-B1 Positive resist composition FUJIFILM CORP (JP) 2009-10-21 EP disclosed
US-20080096130-A1 POSITIVE RESIST COMPOSITION FUJIFILM CORPORATION 2008-04-24 US disclosed
US-7361446-B2 Sensitivity, high resolution, good pattern profile, used for super-microlithography FUJIFILM CORPORATION (JP) 2008-04-22 US disclosed
US-7250246-B2 Positive resist composition and pattern formation method using the same FUJIFILM CORPORATION (JP) 2007-07-31 US disclosed
US-20030134221-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-07-17 US disclosed
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20030108811-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-06-12 US disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
US-20020012866-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2002-01-31 US disclosed
WO-2000034255-A9 SUBSTITUTED THIAZOLES FOR TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF P-, L- AND E- SELECTIN ONTOGEN CORP (US) 2001-10-04 WO disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-2000034255-A1 SUBSTITUTED THIAZOLES FOR TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF P-, L- AND E- SELECTIN ONTOGEN CORPORATION (US) 2000-06-15 WO disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 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 (2 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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C ESR1 2990/4885ADRA2A 1510/4885ADORA3 944/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ESR1 1107/4885ADRA2A 2494/4885ADORA3 2852/4885

“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.