SCHEMBL3096012

SCHEMBL3096012

COc1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TNFRSF1A P19438 2/20 0.41
PTGS2 P35354 3/20 0.40
CA1 P00915 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KIF11 P52732 1/20 0.36
PTGS1 P23219 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL30921753 0.97 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6677826 0.91 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8417921 0.86 SMN1; SMN2 (0.47) CA2ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL11646260 0.86 GABRA1 (0.52) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL31438691 0.86 SMN1; SMN2 (0.47) CA2ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL16957908 0.84 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29488075 0.84 ALDH1A1 (0.56) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL5090616 0.84 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL13310501 0.84 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6041965 0.84 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118853-A Polyurethane curing agent and application thereof in preparation of elastomer 东莞市优骏橡塑制品有限公司 2024-12-13 CN claimed
EP-3122819-B1 MELT POLYMERIZATION POLYCARBONATE QUENCHING TECHNICAL FIELD SABIC GLOBAL TECHNOLOGIES BV (NL) 2023-07-19 EP claimed
US-10766833-B2 Hydroformylation method and catalyst using rhodium-ruthenium dual metal and tetradentate phosphine ligand Wuhan Catalys Technology CO., LTD (CN) 2020-09-08 US claimed
EP-3568418-A2 BRIDGED BIS(INDENYL) TRANSITIONAL METAL COMPLEXES, PRODUCTION, AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2019-11-20 EP claimed
US-20190337866-A1 HYDROFORMYLATION METHOD AND CATALYST USING RHODIUM-RUTHENIUM DUAL METAL AND TETRADENTATE PHOSPHINE LIGAND Wuhan Catalys Technology CO., LTD (CN) 2019-11-07 US claimed
WO-2018132247-A2 BRIDGED BIS(INDENYL) TRANSITIONAL METAL COMPLEXES, PRODUCTION, AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-07-19 WO claimed
US-20180201630-A1 Bridged Bis(Indenyl) Transitional Metal Complexes, Production, and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2018-07-19 US claimed
US-9803049-B2 Melt polymerization polycarbonate quenching SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-10-31 US claimed
CN-106824282-A The hydroformylation reaction method and catalyst of a kind of use rhodium ruthenium bimetallic and four tooth Phosphine ligands 武汉凯特立斯科技有限公司 2017-06-13 CN claimed
CN-106622376-A Internal olefin isomerization and hydroformylation reaction method, and catalyst 武汉凯特立斯科技有限公司 2017-05-10 CN claimed
CN-103804413-B Three Phosphine ligands preparation method of biphenyl and progressively replace PPh in hydroformylation3Application 武汉大学 2017-03-15 CN claimed
EP-3122819-A1 MELT POLYMERIZATION POLYCARBONATE QUENCHING SABIC Global Technologies B.V. (NL) 2017-02-01 EP claimed
US-20170002139-A1 MELT POLYMERIZATION POLYCARBONATE QUENCHING SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-01-05 US claimed
WO-2015145381-A1 MELT POLYMERIZATION POLYCARBONATE QUENCHING SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-10-01 WO claimed
EP-2490291-B1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY UBE INDUSTRIES (JP) 2014-12-03 EP claimed
CN-103594750-A Floating charge resistant lithium ion battery module and floating charge method thereof SHANGHAI AEROSPACE POWER TECHNOLOGY CO LTD 2014-02-19 CN claimed
EP-2490291-A1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2012-08-22 EP claimed
US-20120183846-A1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY UBE INDUSTRIES, LTD. (JP) 2012-07-19 US claimed
CN-116234794-B Low reactivity hydrocarbon dispersants in aqueous polymerization of fluoropolymers THE CHEMOURS COMPANY FC, LLC (US) 2026-05-26 CN disclosed
US-4101326-A Process for making stabilized polyesters used in radiation-sensitive compositions for lithographic plates having improved wear life including hindered phenols and phosphoric acid esters EASTMAN KODAK COMPANY (US) 1978-07-18 US 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 (3 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-20180201630-A1 Bridged Bis(Indenyl) Transitional Metal Complexes, Production, and Use Thereof PCBP1, PARG, PARN CA2 3024/4885GABRA1 3293/4885GABRB2 3321/4885
US-20190337866-A1 HYDROFORMYLATION METHOD AND CATALYST USING RHODIUM-RUTHENIUM DUAL METAL AND TETRADENTATE PHOSPHINE LIGAND HRH4, PPIP5K2, NUDT1 CA2 1079/4885GABRA1 4193/4885GABRB2 4090/4885
US-10766833-B2 Hydroformylation method and catalyst using rhodium-ruthenium dual metal and tetradentate phosphine ligand HRH4, PPIP5K2, NUDT1 CA2 1079/4885GABRA1 4193/4885GABRB2 4090/4885

“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.