SCHEMBL1553640

SCHEMBL1553640

CCCCCCCCc1c[c][c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL15548088 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1554130 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1553239 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1553730 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1554100 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL15547571 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL3837630 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1554490 1.00 PTGS2 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL6715616 0.98 PTGS2 (0.44) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1777491 0.92 CA2 (0.39) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593172-B2 Ziegler-natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORPORATION LIMITED (IN) 2017-03-14 US claimed
US-20150152199-A1 ZIEGLER-NATTA CATALYST SYSTEMS COMPRISING A 1,2-PHENYLENEDIOATE AS INTERNAL DONOR AND PROCESS FOR PREPARING THE SAME INDIAN OIL CORPORATION LIMITED (IN) 2015-06-04 US claimed
EP-2872538-A1 ZIEGLER-NATTA CATALYST SYSTEMS COMPRISING A 1,2-PHENYLENEDIOATE AS INTERNAL DONOR AND PROCESS FOR PREPARING THE SAME Indian Oil Corporation Ltd (IN) 2015-05-20 EP claimed
WO-2014013401-A1 ZIEGLER-NATTA CATALYST SYSTEMS COMPRISING A 1,2-PHENYLENEDIOATE AS INTERNAL DONOR AND PROCESS FOR PREPARING THE SAME INDIAN OIL CORPORATION LIMITED (IN) 2014-01-23 WO claimed
EP-3050906-B1 CATALYST PROCESS MODIFICATION AND POLYMERIZATION THEREOF INDIAN OIL CORP LTD (IN) 2020-07-22 EP disclosed
US-10098841-B2 Method of inducing a phase transition of a bilayer membrane vesicle JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-10-16 US disclosed
US-9914789-B2 Ziegler-natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORPORATION LIMITED (IN) 2018-03-13 US disclosed
US-9873752-B2 Catalyst process modification and polymerization thereof INDIAN OIL CORPORATION LTD. (IN) 2018-01-23 US disclosed
US-9593172-B2 Ziegler-natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same INDIAN OIL CORPORATION LIMITED (IN) 2017-03-14 US disclosed
US-20160347880-A1 ZIEGLER-NATTA CATALYST SYSTEMS COMPRISING A 1,2-PHENYLENEDIOATE AS INTERNAL DONOR AND PROCESS FOR PREPARING THE SAME INDIAN OIL CORPORATION LIMITED (IN) 2016-12-01 US disclosed
EP-3050906-A1 CATALYST PROCESS MODIFICATION AND POLYMERIZATION THEREOF Indian Oil Corporation Limited (IN) 2016-08-03 EP disclosed
US-20160215077-A1 CATALYST PROCESS MODIFICATION AND POLYMERIZATION THEREOF INDIAN OIL CORPORATION LTD. (IN) 2016-07-28 US disclosed
US-8449979-B2 Molecular aggregate capable of undergoing phase transition by dehydrating condensation and method of phase transition thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-05-28 US disclosed
EP-1714962-B1 DEHYDRATING CONDENSATION AGENT HAVING PROPERTY OF ACCUMULATING AT INTERFACE WITH WATER JAPAN SCIENCE & TECH AGENCY (JP) 2011-04-27 EP disclosed
US-20090023003-A1 Molecular Aggregate Capable of Undergoing Phase Transition by Dehydrating Condensation and Method of Phase Transition Thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-01-22 US disclosed
US-7462715-B2 Dehydrating condensation agent having property of accumulating at interface with water JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-12-09 US disclosed
EP-1852177-A1 MOLECULAR AGGREGATE CAPABLE OF UNDERGOING PHASE TRANSITION BY DEHYDRATING CONDENSATION AND METHOD OF PHASE TRANSITION THEREOF Japan Science and Technology Agency (JP) 2007-11-07 EP disclosed
US-20070135632-A1 Dehydrating condensation agent having property of accumulating at interface with water JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-06-14 US disclosed
EP-1714962-A1 DEHYDRATING CONDENSATION AGENT HAVING PROPERTY OF ACCUMULATING AT INTERFACE WITH WATER Japan Science and Technology Agency (JP) 2006-10-25 EP disclosed
US-5644416-A LIQUID CRYSTAL POLYMER FILM FUJI XEROX CO., LTD. (JP) 1997-07-01 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 (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-20070135632-A1 Dehydrating condensation agent having property of accumulating at interface with water AQP1, ADH1C, ADH1A PTGS2 2783/4885ESR1 4583/4885ADRA2A 3147/4885
US-10098841-B2 Method of inducing a phase transition of a bilayer membrane vesicle VAPB, VAPA, NSF PTGS2 3073/4885ESR1 4721/4885ADRA2A 2886/4885

“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.