SCHEMBL2295972

SCHEMBL2295972

C[Si](C)(C)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.42
IDO1 P14902 2/20 0.41
NOTUM Q6P988 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
C1R P00736 1/20 0.38
PSMB8 P28062 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL30626928 1.00 HSD11B1 (0.42) HSD11B1IDO1NOTUMALDH1A1TDP1
SCHEMBL1052795 0.86 HSD11B1 (0.42) HSD11B1IDO1NOTUMALDH1A1TDP1
SCHEMBL7519289 0.81 IDO1 (0.39) HSD11B1IDO1NOTUMALDH1A1TDP1
SCHEMBL19365961 0.80 NOTUM (0.44) HSD11B1NOTUMALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL19405518 0.79 HSD11B1 (0.38) HSD11B1NOTUMALDH1A1TDP1POLB
Bromide SCHEMBL19405666 0.79 HSD11B1 (0.42) HSD11B1NOTUMALDH1A1TDP1POLB
Bromide SCHEMBL19405537 0.79 HSD11B1 (0.38) HSD11B1IDO1NOTUMALDH1A1TDP1
Hydrochloric Acid SCHEMBL19405387 0.79 HSD11B1 (0.42) HSD11B1NOTUMALDH1A1TDP1POLB
SCHEMBL25456416 0.78 ALDH1A1 (0.46) IDO1ALDH1A1TDP1POLBLMNA
SCHEMBL29214153 0.77 HSD11B1 (0.37) HSD11B1NOTUMALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947685-A Method for synthesizing N, N-diaryl-O-allylhydroxylamine compound from nitroarene 安徽中烟工业有限责任公司 2023-10-27 CN disclosed
EP-3352281-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY ADEKA CORP (JP) 2021-08-11 EP disclosed
US-10734684-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery ADEKA CORPORATION (JP) 2020-08-04 US disclosed
US-10388989-B2 Non-aqueous electrolyte, and non-aqueous electrolyte secondary cell ADEKA CORPORATION (JP) 2019-08-20 US disclosed
US-20180226683-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROPLYTE SECONDARY BATTERY ADKEA CORPORATION (JP) 2018-08-09 US disclosed
US-20180226683-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROPLYTE SECONDARY BATTERY ADKEA CORPORATION (JP) 2018-08-09 US disclosed
EP-3352281-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Adeka Corporation (JP) 2018-07-25 EP disclosed
US-20180026304-A1 NON-AQUEOUS ELECTROLYTE, AND NON-AQUEOUS ELECTROLYTE SECONDARY CELL ADEKA CORPORATION (JP) 2018-01-25 US disclosed
US-20180026304-A1 NON-AQUEOUS ELECTROLYTE, AND NON-AQUEOUS ELECTROLYTE SECONDARY CELL ADEKA CORPORATION (JP) 2018-01-25 US disclosed
US-20160336621-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ADEKA CORPORATION (JP) 2016-11-17 US disclosed
WO-2013017374-A1 ANTI -INFLAMMATORY STEROIDS CONDENSED IN POSITION 16,17 WITH PYRROLIDINE RING CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-07 WO disclosed
US-20130035320-A1 PYRROLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-07 US disclosed
EP-2531516-A2 PREGNANE COMPOUNDS CONDENSED IN POSITION 16,17 WITH A PYROLIDINE RING WITH GLUCOCORTICOID ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2012-12-12 EP disclosed
US-20110201580-A1 PYRROLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2011-08-18 US disclosed
WO-2011095535-A2 PYRROLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2011-08-11 WO disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (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-20180226683-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROPLYTE SECONDARY BATTERY SLC9A1, SLC8A1, KCNN1 HSD11B1 1977/4885IDO1 2533/4885NOTUM 1196/4885
US-10734684-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery KCNN1, KCNN2, SLC9A1 HSD11B1 882/4885IDO1 2262/4885NOTUM 1268/4885
US-20130035320-A1 PYRROLIDINE DERIVATIVES NR3C1, TSLP, PTGS1 HSD11B1 60/4885IDO1 131/4885NOTUM 1005/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A HSD11B1 650/4885IDO1 112/4885NOTUM 2117/4885
US-20110201580-A1 PYRROLIDINE DERIVATIVES IL5, TSLP, NR3C1 HSD11B1 38/4885IDO1 298/4885NOTUM 370/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HSD11B1 654/4885IDO1 74/4885NOTUM 2332/4885

“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.