SCHEMBL16554203

SCHEMBL16554203

FC(F)(F)c1cc(C(F)(F)F)c(I)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.40
CACNA1H O95180 7/20 0.35
CACNA1C Q13936 3/20 0.35
CACNA1B Q00975 2/20 0.35
TSHR P16473 4/20 0.33
IDO1 P14902 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CACNA1G O43497 2/20 0.32
AR P10275 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL17954015 0.85 RAPGEF4 (0.37) CES2CACNA1HCACNA1CCACNA1BCACNA1G
SCHEMBL23301012 0.79 AR (0.46) AR
SCHEMBL23301173 0.79 CES2 (0.35) CES2POLB
SCHEMBL24017214 0.77 GLA (0.42) CES2TSHRARGLAPOLB
SCHEMBL11603910 0.77 CES2 (0.43) CES2CACNA1HCACNA1CCACNA1BTSHR
SCHEMBL7882956 0.75 CES2 (0.35) CES2CACNA1HCACNA1CCACNA1B
SCHEMBL15933661 0.74 CES2 (0.41) CES2CACNA1HCACNA1CCACNA1BTSHR
SCHEMBL6756054 0.74 CES2 (0.41) CES2CACNA1HCACNA1CCACNA1BTSHR
SCHEMBL23301654 0.74 ALDH1A1 (0.35) CES2CACNA1HCACNA1CCACNA1BTSHR
SCHEMBL7882829 0.74 CES2 (0.34) CES2CACNA1HCACNA1CCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611714-B Star-shaped ether compound, electrolyte and lithium battery 比亚迪股份有限公司 2025-03-21 CN disclosed
WO-2023147244-A1 POLYURETHANE ADHESIVE DOW GLOBAL TECHNOLOGIES LLC (US) 2023-08-03 WO disclosed
WO-2023110888-A1 A CE(IV) METAL COMPLEX, AN ORGANIC ELECTRONIC DEVICE COMPRISING AN ANODE LAYER, A CATHODE LAYER AND A CHARGE GENERATION LAYER, WHEREIN THE CHARGE GENERATION LAYER COMPRISES A P-TYPE CHARGE GENERATION LAYER THAT COMPRISES THE CE(IV) METAL COMPLEX AND A N-TYPE CHARGE GENERATION LAYER NOVALED GMBH (DE) 2023-06-22 WO disclosed
CN-115611714-A Star-shaped ether compound, electrolyte and lithium battery 比亚迪股份有限公司 2023-01-17 CN disclosed
WO-2022086946-A1 POLYURETHANE COMPOSITION DOW GLOBAL TECHNOLOGIES LLC (US) 2022-04-28 WO disclosed
CN-108658853-B 4-nitrogen heteroaryl alkanol compound and synthesis method thereof 苏州大学 2021-12-03 CN disclosed
EP-3770166-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-10-06 EP disclosed
EP-3681932-B1 LEWIS ACID POLYMERIZATION CATALYST DOW GLOBAL TECHNOLOGIES LLC (US) 2021-06-09 EP disclosed
US-10811622-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-10-20 US disclosed
WO-2019055740-A1 LEWIS ACID POLYMERIZATION CATALYST DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-21 WO disclosed
US-9925528-B2 Catalyst-controlled aliphatic C—H oxidations THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-27 US disclosed
US-9925528-B2 Catalyst-controlled aliphatic C—H oxidations THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-27 US disclosed
US-20160214097-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-28 US disclosed
US-20160214097-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-28 US disclosed
WO-2015035412-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-12 WO disclosed
WO-2015035412-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-12 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 (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-20160214097-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS HMOX1, SOD3, CYC1 CES2 2240/4885CACNA1H 4288/4885CACNA1C 4522/4885
US-10811622-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 CES2 3900/4885CACNA1H 2517/4885CACNA1C 2065/4885

“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.