SCHEMBL10046697

SCHEMBL10046697

CCCCCCc1csc(-c2ccc(-c3cc(CCCCCC)cs3)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR2C P28335 1/20 0.42
HSPE1 P61604 1/20 0.42
HIF1A Q16665 1/20 0.42
TST Q16762 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
SCHEMBL14881251 1.00 PTGS2 (0.42) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1492468 1.00 PTGS2 (0.42) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL15724612 0.92 PTGS2 (0.37) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL196514 0.91 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL3555634 0.91 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL2012315 0.91 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1323842 0.91 PTGS2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL12930352 0.90 ALDH1A1 (0.44) KDM4EALDH1A1LMNATP53HSD17B10
SCHEMBL13963826 0.90 ALDH1A1 (0.44) KDM4EALDH1A1LMNATP53HSD17B10
SCHEMBL16785689 0.87 GPR35 (0.34) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9977306-B2 Electrochromic device, optical filter, lens unit, and imaging apparatus CANON KABUSHIKI KAISHA (JP) 2018-05-22 US disclosed
US-9611233-B2 Organic compound CANON KABUSHIKI KAISHA (JP) 2017-04-04 US disclosed
EP-2797928-B1 NOVEL ORGANIC COMPOUND CANON KK (JP) 2017-03-29 EP disclosed
US-20160299401-A1 ELECTROCHROMIC DEVICE, OPTICAL FILTER, LENS UNIT, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-10-13 US disclosed
US-20160152633-A1 NOVEL ORGANIC COMPOUND CANON KK (JP) 2016-06-02 US disclosed
EP-2719702-B1 ELECTROCHROMIC ELEMENT CANON KK (JP) 2016-05-11 EP disclosed
US-9284328-B2 Organic compound CANON KABUSHIKI KAISHA (JP) 2016-03-15 US disclosed
US-9001408-B2 Electrochromic device CANON KABUSHIKI KAISHA (JP) 2015-04-07 US disclosed
US-9001408-B2 Electrochromic device CANON KABUSHIKI KAISHA (JP) 2015-04-07 US disclosed
US-20150031894-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2015-01-29 US disclosed
EP-2719702-A1 ELECTROCHROMIC ELEMENT Canon Kabushiki Kaisha (JP) 2014-04-16 EP disclosed
WO-2013099523-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2013-07-04 WO disclosed
US-8378338-B2 Conjugated compound, nitrogenated condensed-ring compound, nitrogenated condensed-ring polymer, organic thin film, and organic thin film element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120314272-A1 ELECTROCHROMIC DEVICE CANON KABUSHIKI KAISHA (JP) 2012-12-13 US disclosed
US-20120314272-A1 ELECTROCHROMIC DEVICE CANON KABUSHIKI KAISHA (JP) 2012-12-13 US disclosed
EP-2520572-A1 Nitrogen-containing fused-ring compound, polymer comprising a nitrogen-containing fused-ring repeating unit, organic thin film, and organic thin film element SUMITOMO CHEMICAL CO., LTD. (JP) 2012-11-07 EP disclosed
US-20120049174-A1 CONJUGATED COMPOUND, AND ORGANIC THIN FILM AND ORGANIC THIN FILM ELEMENT EACH COMPRISING SAME OSAKA UNIVERSITY (JP) 2012-03-01 US disclosed
EP-2407465-A1 CONJUGATED COMPOUND, AND ORGANIC THIN FILM AND ORGANIC THIN FILM ELEMENT EACH COMPRISING SAME Sumitomo Chemical Company, Limited (JP) 2012-01-18 EP disclosed
US-20100301314-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT OSAKA UNIVERSITY (JP) 2010-12-02 US disclosed
EP-2223918-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT Osaka University (JP) 2010-09-01 EP 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-20120049174-A1 CONJUGATED COMPOUND, AND ORGANIC THIN FILM AND ORGANIC THIN FILM ELEMENT EACH COMPRISING SAME AHR, C9, C5 PTGS2 4519/4885ESR1 99/4885ADRA2A 282/4885
US-20150031894-A1 NOVEL ORGANIC COMPOUND AOX1, AOC2, OXER1 PTGS2 2039/4885ESR1 192/4885ADRA2A 1261/4885
US-20100301314-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT F12, F9, C9 PTGS2 3738/4885ESR1 211/4885ADRA2A 426/4885
US-20160152633-A1 NOVEL ORGANIC COMPOUND AOX1, AOC2, OXER1 PTGS2 2039/4885ESR1 192/4885ADRA2A 1261/4885

“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.