SCHEMBL217438

SCHEMBL217438

CCCCc1[c]c2c(cc1CCCC)-c1ccccc1C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SIGMAR1 Q99720 2/20 0.33
TLR8 Q9NR97 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PNMT P11086 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR3 P46089 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
TYR P14679 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 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
SCHEMBL2970954 0.96 GPR3 (0.35) NPC1RAB9ASIGMAR1TLR8ALDH1A1
SCHEMBL2962754 0.95 GPR3 (0.37) NPC1RAB9ASIGMAR1TLR8ALDH1A1
SCHEMBL2965124 0.95 GPR3 (0.37) NPC1RAB9ASIGMAR1TLR8ALDH1A1
SCHEMBL2962088 0.95 GPR3 (0.37) NPC1RAB9ASIGMAR1TLR8ALDH1A1
SCHEMBL2974853 0.95 GPR3 (0.37) NPC1RAB9ASIGMAR1TLR8ALDH1A1
SCHEMBL2973190 0.95 GPR3 (0.37) NPC1RAB9ASIGMAR1TLR8ALDH1A1
SCHEMBL2973058 0.95 GPR3 (0.37) NPC1RAB9ASIGMAR1TLR8ALDH1A1
SCHEMBL2687457 0.89 NPC1 (0.35) NPC1RAB9AALDH1A1CYP1A2CYP2D6
SCHEMBL2690046 0.80 NPC1 (0.37) NPC1RAB9AALDH1A1CYP1A2CYP2D6
SCHEMBL2969977 0.77 MAOA (0.40) TLR8ALDH1A1CYP1A2CYP2D6CYP2C19

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 NPC1 2461/4885RAB9A 352/4885SIGMAR1 1528/4885
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL NPC1 4195/4885RAB9A 3440/4885SIGMAR1 2231/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 NPC1 2433/4885RAB9A 3256/4885SIGMAR1 626/4885
US-11560362-B2 Dibutylfluorene derivative and application thereof as photoinitiator NOTUM, FDFT1, DDT NPC1 2257/4885RAB9A 3908/4885SIGMAR1 4815/4885
US-20200385359-A1 DIBUTYLFLUORENE DERIVATIVE AND APPLICATION THEREOF AS PHOTOINITIATOR NOTUM, FDFT1, DDT NPC1 2257/4885RAB9A 3908/4885SIGMAR1 4815/4885

“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.