SCHEMBL544446

SCHEMBL544446

O=C(OCC(F)(F)Br)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.48
CYP19A1 P11511 3/20 0.48
ALDH1A1 P00352 8/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 2/20 0.47
PRKCA P17252 1/20 0.46
GAA P10253 2/20 0.42
XBP1 P17861 1/20 0.42
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL26437516 0.87 CYP17A1 (0.46) CYP17A1CYP19A1ALDH1A1MAPTKMT2A
SCHEMBL15279135 0.86 ALDH1A1 (0.50) CYP17A1CYP19A1ALDH1A1MAPTKMT2A
SCHEMBL23719479 0.85 NPSR1 (0.46) CYP17A1CYP19A1ALDH1A1MAPTKMT2A
SCHEMBL3208886 0.85 ALDH1A1 (0.53) ALDH1A1NPSR1GAASMN1; SMN2POLB
SCHEMBL2601744 0.83 ALDH1A1 (0.47) CYP17A1CYP19A1ALDH1A1MAPTKMT2A
SCHEMBL17281550 0.83 ALDH1A1 (0.47) CYP17A1CYP19A1ALDH1A1MAPTKMT2A
SCHEMBL12323914 0.83 ALDH1A1 (0.47) CYP17A1CYP19A1ALDH1A1MAPTKMT2A
SCHEMBL2625640 0.81 ALDH1A1 (0.46) CYP17A1CYP19A1ALDH1A1MAPTKMT2A
SCHEMBL14328352 0.80 ALDH1A1 (0.45) CYP17A1CYP19A1ALDH1A1MAPTKMT2A
SCHEMBL18031822 0.80 PRKCA (0.48) CYP17A1CYP19A1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210240078-A1 PHOTO-DECOMPOSABLE COMPOUND, PHOTORESIST COMPOSITION INCLUDING THE SAME, AND METHOD OF MANUFACTURING INTEGRATED CIRCUIT DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-08-05 US disclosed
EP-2081084-B1 Positive resist compositions and patterning process SHINETSU CHEMICAL CO (JP) 2014-12-24 EP disclosed
US-8748672-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-06-10 US disclosed
US-8748672-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-06-10 US disclosed
US-8748672-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-06-10 US disclosed
US-20130317250-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-28 US disclosed
US-8581009-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-12 US disclosed
US-8581009-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-12 US disclosed
US-8581009-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-12 US disclosed
US-20130130175-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method CENTRAL GLASS COMPANY, LIMITED (JP) 2013-05-23 US disclosed
US-20100119970-A1 Resist lower-layer composition containing thermal acid generator, resist lower layer film-formed substrate, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-05-13 US disclosed
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method CENTRAL GLASS COMPANY, LTD. (JP) 2010-02-11 US disclosed
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method CENTRAL GLASS COMPANY, LTD. (JP) 2010-02-11 US disclosed
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method CENTRAL GLASS COMPANY, LTD. (JP) 2010-02-11 US disclosed
US-20090186298-A1 POSITIVE RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-07-23 US disclosed
US-20090186296-A1 POSITIVE RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-07-23 US disclosed
US-20090186297-A1 POSITIVE RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-07-23 US disclosed
EP-2081083-A1 Positive resist compositions and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-07-22 EP disclosed
EP-2081085-A1 Positive resist compositions and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-07-22 EP disclosed
EP-2081084-A1 Positive resist compositions and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-07-22 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 (5 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-20210240078-A1 PHOTO-DECOMPOSABLE COMPOUND, PHOTORESIST COMPOSITION INCLUDING THE SAME, AND METHOD OF MANUFACTURING INTEGRATED CIRCUIT DEVICE C9, C1S, C5 CYP17A1 3836/4885CYP19A1 1408/4885ALDH1A1 961/4885
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR CYP17A1 2560/4885CYP19A1 1768/4885ALDH1A1 1210/4885
US-20130130175-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR CYP17A1 2913/4885CYP19A1 2303/4885ALDH1A1 1564/4885
US-20130317250-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same PFAS, DDAH1, STS CYP17A1 2585/4885CYP19A1 3914/4885ALDH1A1 421/4885
US-20100119970-A1 Resist lower-layer composition containing thermal acid generator, resist lower layer film-formed substrate, and patterning process SCO2, CA1, LCT CYP17A1 642/4885CYP19A1 1189/4885ALDH1A1 757/4885

“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.