SCHEMBL217105

SCHEMBL217105

[NH]C(=O)C1CCCCCCCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NOS2 P35228 1/20 0.41
HSD11B1 P28845 3/20 0.41
EPHX1 P07099 6/20 0.39
RECQL P46063 1/20 0.39
HSD11B2 P80365 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
EPHX2 P34913 1/20 0.38
MGLL Q99685 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL215921 1.00 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL217427 1.00 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL26180 1.00
SCHEMBL218386 1.00 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8517604 1.00 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL216549 1.00 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL217137 0.97
Sulfur Dioxide SCHEMBL461977 0.92 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL216556 0.90
SCHEMBL5660 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452521-A1 TETRAHYDROINDACENYL CATALYST COMPOSITION, CATALYST SYSTEM, AND PROCESSES FOR USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2019-03-13 EP claimed
WO-2017192226-A1 TETRAHYDROINDACENYL CATALYST COMPOSITION, CATALYST SYSTEM, AND PROCESSES FOR USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-11-09 WO claimed
US-7041841-B1 Process for producing crystalline poly-α-olefins with a monocyclopentadienyl transition metal catalyst system EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-09 US claimed
US-6262197-B1 AS POLYMERIZATION CATALYST IN OLEFIN POLYMERIZATION TARGOR GMBH (DE) 2001-07-17 US claimed
US-5808122-A Organometallic compound HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-15 US claimed
US-5726333-A POLYMERIZATION CATALYSTS HOECHST AG (DE) 1998-03-10 US claimed
US-20240084056-A1 Polyolefin-Based Ionomers and Production Thereof EXXONMOBIL CHEMICAL PATENTS INC (US) 2024-03-14 US disclosed
WO-2023250240-A1 LOW COST PROCESSES OF IN-SITU MAO SUPPORTATION AND THE DERIVED FINISHED POLYOLEFIN CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-12-28 WO disclosed
EP-4271718-A1 POLYOLEFIN-BASED IONOMERS AND PRODUCTION THEREOF ExxonMobil Chemical Patents Inc. (US) 2023-11-08 EP disclosed
US-11766669-B2 Hexahydrocyclopenta[e]-as-indacen-1-yl and octahydrobenzo[e]-as-indacen-1-yl based catalyst complexes and process for use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-09-26 US disclosed
US-20230242745-A1 Process for Production of Thermoplastic Vulcanizates using Supported Catalyst Systems and Compositions Made Therefrom EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-08-03 US disclosed
US-20220213241-A1 Polyolefin-Based Ionomers and Production Thereof EXXONMOBIL CHEMICAL PATENTS INC (US) 2022-07-07 US disclosed
WO-2022146634-A1 POLYOLEFIN-BASED IONOMERS AND PRODUCTION THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-07-07 WO disclosed
US-5585508-A POLYMERIZATION CATALYST FOR POLYOLEFINS HOECHST AG (DE) 1996-12-17 US disclosed
EP-0742046-A2 Organometallic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed
EP-0742225-A1 Organometallic compound HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed
EP-0739897-A1 Polynuclear metallocene compound, process for preparing it and its use as catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 EP disclosed
EP-0694557-A2 Organo metallic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-31 EP disclosed
WO-1996000734-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed
EP-0654476-A1 Metallocenes, their preparation and use as catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-24 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 (1 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-11766669-B2 Hexahydrocyclopenta[e]-as-indacen-1-yl and octahydrobenzo[e]-as-indacen-1-yl based catalyst complexes and process for use thereof MLX, ZYX, TXN CES2 4035/4885CES1 3464/4885HDAC8 4217/4885

“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.