SCHEMBL15052618

SCHEMBL15052618

[Ir].c1cnc2c(c1)ccc1ncccc12

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.96
▸ CYP3A4 P08684 2/20 0.64
▸ CCR1 P32246 5/20 0.60
▸ CCR8 P51685 5/20 0.60
▸ MAPT P10636 3/20 0.60
▸ HSP90AA1 P07900 3/20 0.60
▸ CCR5 P51681 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ HIF1A Q16665 2/20 0.60
▸ MMP2 P08253 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ GMNN O75496 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ MMP9 P14780 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ MMP8 P22894 1/20 0.60
▸ THPO P40225 1/20 0.60

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
SCHEMBL8313 0.98 LMNA (1.00) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL6513577 0.98 LMNA (1.00) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL3862777 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL10789328 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL8728454 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL1681333 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL1003398 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL722331 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL4447950 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT
SCHEMBL4858817 0.96 LMNA (0.96) LMNACYP3A4CCR1CCR8MAPT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504372-A Method for synthesizing 4-tert-butoxy styrene 西安近代化学研究所 2025-02-25 — — CN claimed
CN-117624249-A Red light-emitting iridium complex viscosity probe, preparation method and application thereof 安徽工业大学 2024-03-01 — — CN claimed
CN-119504372-A Method for synthesizing 4-tert-butoxy styrene 西安近代化学研究所 2025-02-25 — — CN disclosed
CN-119504372-A Method for synthesizing 4-tert-butoxy styrene 西安近代化学研究所 2025-02-25 — — CN disclosed
CN-118103479-A Organic solid up-conversion material 出光兴产株式会社 2024-05-28 — — CN disclosed
CN-117624249-A Red light-emitting iridium complex viscosity probe, preparation method and application thereof 安徽工业大学 2024-03-01 — — CN disclosed
CN-117181265-A Preparation method of efficient catalyst for preparing DMF (dimethyl formamide) by carbon dioxide hydrogenation 中国石油大学(华东) 2023-12-08 — — CN disclosed
WO-2023063289-A1 ORGANIC SOLID UP-CONVERSION MATERIAL 出光興産株式会社 2023-04-20 — — WO disclosed
US-20160312113-A1 Optical Wavelength Conversion Element Containing Ionic Liquid, And Article Equipped With Said Optical Wavelength Conversion Element TOKYO INSTITUTE OF TECHNOLOGY (JP) 2016-10-27 — — US disclosed
CN-105874033-A Optical wavelength conversion element containing ionic liquid and article comprising same 日本化药株式会社 2016-08-17 — — CN disclosed
CN-102484923-B Light-emitting component, light-emitting device and manufacture method thereof SEMICONDUCTOR ENERGY LABORATORY CO.,LTD. (JP) 2016-05-04 — — CN disclosed
CN-103228612-B With the method that primary alconol homogeneous catalysis high selectivity direct aminatin is primary amine by high liquid/vapor volume ratio and/or high pressure ammonia EVONIK DEGUSSA GMBH (DE) 2016-03-23 — — CN disclosed
US-8927773-B2 Process for the direct amination of secondary alcohols with ammonia to give primary amines EVONIK DEGUSSA GMBH (DE) 2015-01-06 — — US disclosed
US-8835691-B2 Process for homogeneously catalyzed, highly selective direct amination of primary alcohols with ammonia to primary amines with a high volume ratio of liquid phase to gas phase and/or high pressures EVONIK DEGUSSA GMBH (DE) 2014-09-16 — — US disclosed
US-20130245276-A1 PROCESS FOR HOMOGENEOUSLY CATALYZED, HIGHLY SELECTIVE DIRECT AMINATION OF PRIMARY ALCOHOLS WITH AMMONIA TO PRIMARY AMINES WITH A HIGH VOLUME RATIO OF LIQUID PHASE TO GAS PHASE AND/OR HIGH PRESSURES EVONIK DEGUSSA GMBH (DE) 2013-09-19 — — US disclosed
CN-103228612-A Process for homogeneously catalyzed, highly selective direct amination of primary alcohols with ammonia to primary amines with a high volume ratio of liquid phase to gas phase and/or high pressures EVONIK DEGUSSA GMBH 2013-07-31 — — CN disclosed
US-20130165672-A1 PROCESS FOR THE DIRECT AMINATION OF SECONDARY ALCOHOLS WITH AMMONIA TO GIVE PRIMARY AMINES EVONIK DEGUSSA GMBH (DE) 2013-06-27 — — US disclosed
CN-103097324-A Process for the direct amination of secondary alcohols with ammonia to give primary amines EVONIK DEGUSSA GMBH 2013-05-08 — — CN disclosed
CN-102484923-A Light-emitting element, light-emitting device, and method for manufacturing the same SEMICONDUCTOR ENERGY LAB 2012-05-30 — — CN 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 (2 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-20130165672-A1 PROCESS FOR THE DIRECT AMINATION OF SECONDARY ALCOHOLS WITH AMMONIA TO GIVE PRIMARY AMINES ADH1C, ADH5, ADH1A LMNA 1154/4885CYP3A4 400/4885CCR1 2988/4885
US-20130245276-A1 PROCESS FOR HOMOGENEOUSLY CATALYZED, HIGHLY SELECTIVE DIRECT AMINATION OF PRIMARY ALCOHOLS WITH AMMONIA TO PRIMARY AMINES WITH A HIGH VOLUME RATIO OF LIQUID PHASE TO GAS PHASE AND/OR HIGH PRESSURES ADH1C, ADH1A, ADH5 LMNA 1050/4885CYP3A4 570/4885CCR1 3136/4885

“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.

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