SCHEMBL217439

SCHEMBL217439

CCCCc1ccc2c(c1CCCC)[CH]c1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ELANE P08246 4/20 0.36
CTSG P08311 4/20 0.36
TYR P14679 2/20 0.33
GPR3 P46089 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
TLR8 Q9NR97 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CTRC Q99895 1/20 0.31
GCGR P47871 1/20 0.31
SETD7 Q8WTS6 1/20 0.31

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
SCHEMBL2970956 0.95 NR1H2 (0.41) NR1H2NR1H3ELANECTSGTYR
SCHEMBL2965126 0.94 NR1H2 (0.43) NR1H2NR1H3ELANECTSGTYR
SCHEMBL2970974 0.94 NR1H2 (0.43) NR1H2NR1H3ELANECTSGTYR
SCHEMBL2962756 0.94 NR1H2 (0.43) NR1H2NR1H3ELANECTSGTYR
SCHEMBL2973060 0.94 NR1H2 (0.43) NR1H2NR1H3ELANECTSGTYR
SCHEMBL2973193 0.94 NR1H2 (0.43) NR1H2NR1H3ELANECTSGTYR
SCHEMBL2974854 0.94 NR1H2 (0.43) NR1H2NR1H3ELANECTSGTYR
SCHEMBL2687458 0.87 ELANE (0.33) ELANECTSG
SCHEMBL2868375 0.83 NR1H2 (0.35) NR1H2NR1H3ELANECTSGTYR
SCHEMBL215717 0.82 NR1H2 (0.42) NR1H2NR1H3ELANECTSGLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140219911-A1 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-07 US claimed
WO-2013033018-A2 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION DREXEL UNIVERSITY (US) 2013-03-07 WO claimed
EP-2495240-A1 FLUORANTHENE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-09-05 EP claimed
US-20120112179-A1 FLUORANTHENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US claimed
US-7214746-B2 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US claimed
EP-1737893-A1 PHOSPHORUS BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-01-03 EP claimed
EP-1737875-A1 PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Patents Inc. (US) 2007-01-03 EP claimed
WO-2005108435-A1 PHOSPHORUS BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-17 WO claimed
WO-2005108410-A1 PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-17 WO claimed
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US claimed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US claimed
US-11560362-B2 Dibutylfluorene derivative and application thereof as photoinitiator HUIZHOU HUAHONG NEW MATERIAL CO., LTD. (CN) 2023-01-24 US disclosed
US-11560362-B2 Dibutylfluorene derivative and application thereof as photoinitiator HUIZHOU HUAHONG NEW MATERIAL CO., LTD. (CN) 2023-01-24 US disclosed
US-20200385359-A1 DIBUTYLFLUORENE DERIVATIVE AND APPLICATION THEREOF AS PHOTOINITIATOR HUIZHOU HUAHONG NEW MATERIAL CO., LTD. (CN) 2020-12-10 US disclosed
EP-0970976-A1 Copolymer, process for production thereof, and molded article thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed
EP-0852230-A1 TRANSITION METAL COMPLEXES, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-08 EP disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 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 (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-20120112179-A1 FLUORANTHENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME AFF1, TCF12, AFF2 NR1H2 192/4885NR1H3 206/4885ELANE 307/4885
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL NR1H2 2038/4885NR1H3 1941/4885ELANE 762/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 NR1H2 21/4885NR1H3 44/4885ELANE 1377/4885
US-11560362-B2 Dibutylfluorene derivative and application thereof as photoinitiator NOTUM, FDFT1, DDT NR1H2 1917/4885NR1H3 1882/4885ELANE 4355/4885
US-20200385359-A1 DIBUTYLFLUORENE DERIVATIVE AND APPLICATION THEREOF AS PHOTOINITIATOR NOTUM, FDFT1, DDT NR1H2 1917/4885NR1H3 1882/4885ELANE 4355/4885

“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.