SCHEMBL178050

SCHEMBL178050

CCCCCCCCc1ccc(O)c(I)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.59
PTGS2 P35354 4/20 0.56
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
CYP3A4 P08684 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
SHBG P04278 1/20 0.56
TP53 P04637 1/20 0.56
HSPD1 P10809 1/20 0.56
ADRB3 P13945 1/20 0.56
HTR2C P28335 1/20 0.56
HSPE1 P61604 1/20 0.56
HIF1A Q16665 1/20 0.56

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
SCHEMBL22578200 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL18676879 1.00 KAT8 (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL20047782 0.98 KAT8 (0.57) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL11155646 0.93 NPC1 (0.55) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL27693940 0.86 PPARA (0.59) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL566565 0.85 CNR1 (0.64) ESR1CYP3A4KDM4EHIF1AHSD17B10
SCHEMBL11721061 0.83 IGF1R (0.76) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL11616856 0.83 IGF1R (0.76) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL70343 0.83 IGF1R (0.76) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL68207 0.83 IGF1R (0.76) KAT8PTGS2ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491942-B Metal-ligand complex, catalyst composition, and method for producing same 沙特基础工业爱思开NEXLENE私人有限公司 2024-01-12 CN disclosed
US-11505563-B2 Metal-ligand complex, catalyst composition for ethylene-based polymerization including the same, and method for preparing ethylene-based polymer using the same SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2022-11-22 US disclosed
EP-3730501-B1 METAL-LIGAND COMPLEX, CATALYST COMPOSITION COMPRISING SAME FOR ETHYLENE-BASED POLYMERIZATION, AND METHOD FOR PREPARING ETHYLENE-BASED POLYMER BY USING SAME SABIC SK NEXLENE COMPANY PTE LTD (SG) 2022-09-14 EP disclosed
US-20220135599-A1 METAL-LIGAND COMPLEX, CATALYST COMPOSITION COMPRISING SAME FOR ETHYLENE BASED POLYMERIZATION, AND METHOD FOR PREPARING ETHYLENE-BASED POLYMER BY USING SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2022-05-05 US disclosed
EP-3730501-A1 METAL-LIGAND COMPLEX, CATALYST COMPOSITION COMPRISING SAME FOR ETHYLENE-BASED POLYMERIZATION, AND METHOD FOR PREPARING ETHYLENE-BASED POLYMER BY USING SAME Sabic Sk Nexlene Company Pte. Ltd. (SG) 2020-10-28 EP disclosed
CN-111491942-A Metal-ligand complex, catalyst composition for ethylene polymerization comprising same, and method for producing ethylene polymer using same 沙特基础工业爱思开NEXLENE私人有限公司 2020-08-04 CN disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
CN-102186845-A S1p receptors modulators and their use thereof AKAAL PHARMA PTY LTD 2011-09-14 CN disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (5 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 KAT8 3964/4885PTGS2 1012/4885ESR1 1797/4885
US-11505563-B2 Metal-ligand complex, catalyst composition for ethylene-based polymerization including the same, and method for preparing ethylene-based polymer using the same EPRS1, NOTUM, ELL KAT8 2160/4885PTGS2 707/4885ESR1 23/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 KAT8 3964/4885PTGS2 1012/4885ESR1 1797/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 KAT8 3602/4885PTGS2 1213/4885ESR1 2088/4885
US-20220135599-A1 METAL-LIGAND COMPLEX, CATALYST COMPOSITION COMPRISING SAME FOR ETHYLENE BASED POLYMERIZATION, AND METHOD FOR PREPARING ETHYLENE-BASED POLYMER BY USING SAME NOTUM, EPRS1, ESD KAT8 1922/4885PTGS2 664/4885ESR1 51/4885

“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.