SCHEMBL196247

SCHEMBL196247

C[Si](OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NR1I2 O75469 4/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
ACHE P22303 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CHRM1 P11229 2/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
MAPT P10636 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
SCHEMBL196180 0.85 NR1H2 (0.37) NR1H2NR1H3ESR1ESR2NR1I2
SCHEMBL537935 0.80 CA2 (0.36) NR1H2NR1H3NR1I2RORARORC
SCHEMBL28887744 0.79 HSD17B10 (0.36) ESR1ESR2NR1I2CA2CA1
SCHEMBL537975 0.78 CA2 (0.33) NR1H2NR1H3NR1I2RORARORC
SCHEMBL30998871 0.77 PSIP1 (0.34) NR1H2NR1H3NR1I2RORARORC
SCHEMBL28769788 0.72 ALDH1A1 (0.35) NR1H2NR1H3NR1I2CA9ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL3813931 0.71 ACHE (0.43) NR1H2NR1H3ESR1ESR2NR1I2
SCHEMBL2057888 0.69 KEAP1 (0.35) ESR1ESR2NR1I2CA2CA1
SCHEMBL14777968 0.69 CA1 (0.32) CA2CA1ALDH1A1
SCHEMBL28527 0.69 CA1 (0.32) CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238771-A1 SUPPORTED RARE EARTH CATALYSTS AND CATALYTIC CH BORYLATION OF HYDROCARBONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2024-07-18 US claimed
WO-2025046071-A1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES ESTETRA SRL (BE) 2025-03-06 WO disclosed
US-20240238771-A1 SUPPORTED RARE EARTH CATALYSTS AND CATALYTIC CH BORYLATION OF HYDROCARBONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2024-07-18 US disclosed
US-11053273-B2 Process for the production of estetrol intermediates ESTETRA S.P.R.L. (BE) 2021-07-06 US disclosed
US-11053274-B2 Process for the production of estetrol intermediates ESTETRA S.P.R.L. (BE) 2021-07-06 US disclosed
EP-2714712-B1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES ESTETRA SPRL (BE) 2016-08-24 EP disclosed
EP-2764008-B1 PROCESS FOR THE PRODUCTION OF ESTETROL ESTETRA SPRL (BE) 2016-08-17 EP disclosed
EP-2714710-B1 PROCESS FOR THE PRODUCTION OF ESTETROL INTERMEDIATES ESTETRA SPRL (BE) 2016-04-06 EP disclosed
US-8987484-B2 Process for the production of estetrol ESTETRA S.P.R.L. (BE) 2015-03-24 US disclosed
US-20140243539-A1 Process for the Production of Estetrol ESTETRA S.P.R.L. (BE) 2014-08-28 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
US-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP disclosed
EP-0350334-B1 A process for producing fluorine-containing compounds NIPPON MINING CO (JP) 1993-10-27 EP disclosed
US-5126482-A Process for producing fluorine-containing carboxylic acids NIPPON MINING CO., LTD. (JP) 1992-06-30 US disclosed
EP-0350334-A2 A process for producing fluorine-containing compounds NIKKO KYODO CO., LTD. (JP) 1990-01-10 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 (6 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-11053273-B2 Process for the production of estetrol intermediates SULT1A1, DHCR7, SULT1E1 NR1H2 38/4885NR1H3 29/4885ESR1 193/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 NR1H2 3025/4885NR1H3 3117/4885ESR1 871/4885
US-20140243539-A1 Process for the Production of Estetrol VKORC1L1, CYP46A1, DHCR7 NR1H2 49/4885NR1H3 61/4885ESR1 103/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 NR1H2 2937/4885NR1H3 2930/4885ESR1 997/4885
US-20240238771-A1 SUPPORTED RARE EARTH CATALYSTS AND CATALYTIC CH BORYLATION OF HYDROCARBONS HAO2, SCO2, SOD1 NR1H2 547/4885NR1H3 246/4885ESR1 465/4885
US-11053274-B2 Process for the production of estetrol intermediates DHCR7, POR, C1R NR1H2 60/4885NR1H3 62/4885ESR1 114/4885

“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.