SCHEMBL2518955

SCHEMBL2518955

C=CCC(CCC)n1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 8/20 0.41
▸ CYP19A1 P11511 9/20 0.35
▸ TBXAS1 P24557 1/20 0.32

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
Bromide SCHEMBL28301180 0.98 CYP17A1 (0.40) CYP17A1CYP19A1TBXAS1
SCHEMBL28243670 0.94 CYP17A1 (0.41) CYP17A1CYP19A1
SCHEMBL28358109 0.88 TBXAS1 (0.41) CYP17A1CYP19A1TBXAS1
SCHEMBL15901888 0.88 TBXAS1 (0.41) CYP17A1CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL28382553 0.88 CYP17A1 (0.39) CYP17A1CYP19A1TBXAS1
Bromide SCHEMBL28937656 0.86 TBXAS1 (0.41) CYP17A1CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL28887851 0.86 TBXAS1 (0.41) CYP17A1CYP19A1TBXAS1
SCHEMBL17742983 0.86 CYP17A1 (0.39) CYP17A1CYP19A1
SCHEMBL5455751 0.86 CYP19A1 (0.40) CYP17A1CYP19A1
SCHEMBL19122966 0.85 CYP17A1 (0.40) CYP17A1CYP19A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117568063-A Refining method of heavy aromatic hydrocarbon derivative for preparing automobile rubber sealing strip 宁波博汇化工科技股份有限公司 2024-02-20 — — CN claimed
CN-109794271-A A kind of ultra-thin PbBiO of oxygen-enriched defect2The preparation method and its usage of Br nanometer sheet 江苏大学 2019-05-24 — — CN claimed
CN-103821007-B Method for performing formaldehyde-free non-ironing treatment on fabric by using ionic liquid as catalyst for concerted catalysis UNIV DONGHUA 2015-05-20 — — CN claimed
CN-103821007-A Method for performing formaldehyde-free non-ironing treatment on fabric by using ionic liquid as catalyst for concerted catalysis UNIV DONGHUA 2014-05-28 — — CN claimed
CN-102182061-B Preparation method of ITO (indium tin oxide)/wool keratin solution compound functional finishing agent UNIV DONGHUA 2012-07-04 — — CN claimed
CN-102182061-A Preparation method of ITO (indium tin oxide)/wool keratin solution compound functional finishing agent UNIV DONGHUA 2011-09-14 — — CN claimed
CN-117568063-A Refining method of heavy aromatic hydrocarbon derivative for preparing automobile rubber sealing strip 宁波博汇化工科技股份有限公司 2024-02-20 — — CN disclosed
CN-114456297-A High-crosslinking-degree environment-friendly water-based resin for lithium ion battery and preparation method thereof 江苏昌华化工有限公司 2022-05-10 — — CN disclosed
CN-109794271-A A kind of ultra-thin PbBiO of oxygen-enriched defect2The preparation method and its usage of Br nanometer sheet 江苏大学 2019-05-24 — — CN disclosed
CN-109749730-A A kind of high-efficiency environment friendly slickwater fracturing fluid drag reducer and preparation method thereof 大庆玮德化工有限公司 2019-05-14 — — CN disclosed
CN-106397324-B A kind of purification process of glyoxaline ion liquid 林州市科能材料科技有限公司 2019-05-10 — — CN disclosed
CN-105940291-B Protectant for electron microscope observation of biological sample in aqueous state, kit, method for observation, diagnosis, evaluation, and quantification by electron microscope, and sample stage 国立研究开发法人科学技术振兴机构 2019-03-08 — — CN disclosed
CN-109428126-A Aqueous electrolyte and aquo-lithium ion secondary cell 丰田自动车株式会社 2019-03-05 — — CN disclosed
CN-102182061-B Preparation method of ITO (indium tin oxide)/wool keratin solution compound functional finishing agent UNIV DONGHUA 2012-07-04 — — CN disclosed
US-20110251377-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2011-10-13 — — US disclosed
CN-102182061-A Preparation method of ITO (indium tin oxide)/wool keratin solution compound functional finishing agent UNIV DONGHUA 2011-09-14 — — CN disclosed
US-20100319862-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-12-23 — — US disclosed
EP-2257669-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF The Board Of Trustees Of The University Of Alabama (US) 2010-12-08 — — EP disclosed
WO-2010056790-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-05-20 — — WO disclosed
WO-2009105236-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-08-27 — — 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 (1 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-20110251377-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF IPMK, AGL, PGLS CYP17A1 3871/4885CYP19A1 4693/4885TBXAS1 1544/4885

“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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