SCHEMBL817176

SCHEMBL817176

[c]1cc2c(c3c1Cc1ccccc1-3)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 2/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAOB P27338 1/20 0.33
MAP3K9 P80192 1/20 0.33
MAP3K11 Q16584 1/20 0.33
BCHE P06276 3/20 0.31
CES1 P23141 1/20 0.31
NOS3 P29474 1/20 0.30
ACHE P22303 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL822203 0.98 TSHR (0.36) TSHRHPGDL3MBTL1MAOABCL2L1
SCHEMBL814797 0.98 TSHR (0.36) TSHRHPGDL3MBTL1MAOABCL2L1
SCHEMBL816474 0.97 MAOA (0.37) TSHRHPGDL3MBTL1MAOABCL2L1
SCHEMBL953469 0.78 CES1 (0.37) BCL2L1BADCES1NOS3
SCHEMBL28852797 0.74 TSHR (0.44) TSHRHPGDL3MBTL1MAOABCL2L1
SCHEMBL2047396 0.68 MAOA (0.35) HPGDMAOAMAP3K9MAP3K11BCHE
SCHEMBL2050046 0.67 ADORA2A (0.37) HPGDMAOABCL2L1CYP2A6MAP3K9
SCHEMBL814299 0.67 BCL2L1 (0.31) TSHRBCL2L1BAD
SCHEMBL551143 0.65 BCL2L1 (0.30) BCL2L1BAD
SCHEMBL29533683 0.65 TSHR (0.46) TSHRHPGDL3MBTL1MAOABCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539993-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2019-09-18 EP disclosed
EP-3022233-B1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-05-01 EP disclosed
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2018-03-08 US disclosed
US-9834628-B2 Cyclopropyl substituted metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-12-05 US disclosed
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
EP-3022233-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2016-05-25 EP disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-20150025207-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2015-01-22 US disclosed
WO-2015009473-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-01-22 WO disclosed
US-8546595-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS, INC. 2007-06-14 US disclosed
US-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-08-17 US disclosed
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-07-20 US disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065843-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065906-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 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 (8 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-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization OPRM1, POLM, AP1M1 TSHR 1993/4885HPGD 2974/4885L3MBTL1 1195/4885
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization B2M, CDYL, MLX TSHR 2843/4885HPGD 4572/4885L3MBTL1 183/4885
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 TSHR 47/4885HPGD 4692/4885L3MBTL1 23/4885
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization MLX, AP1M1, AP2M1 TSHR 2259/4885HPGD 4528/4885L3MBTL1 1354/4885
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 TSHR 1486/4885HPGD 4586/4885L3MBTL1 326/4885
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts CPNE4, TIMM13, NECTIN4 TSHR 4546/4885HPGD 3394/4885L3MBTL1 2465/4885
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization ZKSCAN2, ZRANB2, ZC3H18 TSHR 1891/4885HPGD 4346/4885L3MBTL1 2090/4885
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization OR10J3, ZRANB2, SLC39A3 TSHR 1942/4885HPGD 4373/4885L3MBTL1 519/4885

“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.