SCHEMBL17879732

SCHEMBL17879732

O=C(OCCC(O)(C(F)(F)F)C(F)(F)F)c1cc(S(=O)(=O)O)c2cc(Cl)cc([N+](=O)[O-])c2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
THRB P10828 5/20 0.33
ESR1 P03372 1/20 0.33
VDR P11473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 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
SCHEMBL17879756 0.90 MEN1 (0.34) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL17879744 0.83 COMT (0.38) ESR1
SCHEMBL17879746 0.79 SERPINE1 (0.33) ESR1ALDH1A1
SCHEMBL17879750 0.77 TTR (0.36) MEN1KMT2AALDH1A1
SCHEMBL18810698 0.75 KMT2A (0.35) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL18810696 0.75 KMT2A (0.35) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL17883728 0.74 RAB9A (0.36) ALDH1A1
SCHEMBL17879783 0.74 L3MBTL1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL18823417 0.73 COMT (0.37) ESR1ALDH1A1
SCHEMBL20117656 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10007179-B2 Thermal acid generators and photoresist pattern trimming compositions and methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-06-26 US disclosed
US-20180118968-A1 TOPCOAT COMPOSITIONS CONTAINING FLUORINATED THERMAL ACID GENERATORS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2018-05-03 US disclosed
US-9696629-B2 Photoresist pattern trimming compositions and methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-07-04 US disclosed
US-9696629-B2 Photoresist pattern trimming compositions and methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-07-04 US disclosed
US-20170123314-A1 THERMAL ACID GENERATORS AND PHOTORESIST PATTERN TRIMMING COMPOSITIONS AND METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2017-05-04 US disclosed
US-20170123313-A1 THERMAL ACID GENERATORS AND PHOTORESIST PATTERN TRIMMING COMPOSITIONS AND METHODS ROHM & HAAS ELECT MAT (US) 2017-05-04 US disclosed
US-20170123313-A1 THERMAL ACID GENERATORS AND PHOTORESIST PATTERN TRIMMING COMPOSITIONS AND METHODS ROHM & HAAS ELECT MAT (US) 2017-05-04 US disclosed
US-20170123314-A1 THERMAL ACID GENERATORS AND PHOTORESIST PATTERN TRIMMING COMPOSITIONS AND METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2017-05-04 US disclosed
US-20160187783-A1 PHOTORESIST PATTERN TRIMMING COMPOSITIONS AND METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2016-06-30 US disclosed
US-20160187783-A1 PHOTORESIST PATTERN TRIMMING COMPOSITIONS AND METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2016-06-30 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 (3 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-20170123313-A1 THERMAL ACID GENERATORS AND PHOTORESIST PATTERN TRIMMING COMPOSITIONS AND METHODS ADH1A, ADH1C, FPR1 MEN1 4220/4885KMT2A 2596/4885MAPT 4278/4885
US-10007179-B2 Thermal acid generators and photoresist pattern trimming compositions and methods ADH1A, PUF60, PARG MEN1 3668/4885KMT2A 1230/4885MAPT 448/4885
US-20170123314-A1 THERMAL ACID GENERATORS AND PHOTORESIST PATTERN TRIMMING COMPOSITIONS AND METHODS ADH1A, PUF60, PARG MEN1 3668/4885KMT2A 1230/4885MAPT 448/4885

“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.