SCHEMBL502074

SCHEMBL502074

O=C(OCCn1ccnc1)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
TBXAS1 P24557 12/20 0.53
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
DRD3 P35462 1/20 0.51
MT-CO2 P00403 1/20 0.49
CYP19A1 P11511 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.47

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
Zimidoben SCHEMBL501789 0.84 TBXAS1 (0.60) TBXAS1MEN1LMNAKMT2ACYP19A1
SCHEMBL501417 0.82 CYP19A1 (0.57) TBXAS1MEN1LMNAKMT2ACYP19A1
SCHEMBL11253238 0.81 TBXAS1 (0.56) TBXAS1KMT2ACYP19A1ALDH1A1KDM4E
SCHEMBL502376 0.80 TBXAS1 (0.65) TBXAS1MEN1LMNAKMT2ACYP19A1
Hydrochloric Acid SCHEMBL11252177 0.80 TBXAS1 (0.55) TBXAS1MEN1LMNAKMT2ACYP19A1
SCHEMBL6963117 0.79 TBXAS1 (0.64) TBXAS1CYP19A1ALDH1A1KDM4E
SCHEMBL27691343 0.78 HRH3 (0.64) HRH3MEN1LMNAKMT2ADRD3
Nafimidone SCHEMBL1817018 0.78 ALPG (0.66) TBXAS1CYP19A1
SCHEMBL501977 0.78 TBXAS1 (0.58) HRH3TBXAS1LMNADRD3ALDH1A1
SCHEMBL31518372 0.78 TBXAS1 (0.58) HRH3TBXAS1LMNADRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033966-B1 Novel photoacid generators, resist compositons, and patterning processes SHINETSU CHEMICAL CO (JP) 2015-07-29 EP disclosed
US-8945809-B2 Fluorinated monomer, fluorinated polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8933251-B2 Fluorinated monomer of cyclic acetal structure, polymer, resist protective coating composition, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-01-13 US disclosed
US-8609889-B2 Photoacid generator, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-12-17 US disclosed
US-20130231491-A1 FLUORINATED MONOMER OF CYCLIC ACETAL STRUCTURE, POLYMER, RESIST PROTECTIVE COATING COMPOSITION, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-09-05 US disclosed
US-8431323-B2 Fluorinated monomer of cyclic acetal structure, polymer, resist protective coating composition, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-30 US disclosed
US-8420292-B2 Polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-8394570-B2 Sulfonium salt, acid generator, resist composition, photomask blank, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-12 US disclosed
US-8313886-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-11-20 US disclosed
US-8268528-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-7670751-B2 Photoacid generator, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-02 US disclosed
US-20090274978-A1 NOVEL PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-05 US disclosed
US-20090274984-A1 CARBOXYL-CONTAINING LACTONE COMPOUND, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-05 US disclosed
US-20090246686-A1 POLYMER, POLYMER PREPARATION METHOD, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-01 US disclosed
EP-2033966-A2 Movel photoacid generators, resist compositons, and patterning processes Shin-Etsu Chemical Co., Ltd. (JP) 2009-03-11 EP disclosed
US-20090061358-A1 NOVEL PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS PROXIMAL SYSTEMS CORPORATION 2009-03-05 US disclosed
US-7276324-B2 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-7276324-B2 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-7276324-B2 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-20050106500-A1 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2005-05-19 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-20090061358-A1 NOVEL PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS RER1, CRY1, CYP21A2 HRH3 6/4885TBXAS1 1300/4885MEN1 718/4885
US-20090274984-A1 CARBOXYL-CONTAINING LACTONE COMPOUND, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS WDR1, EGLN1, RER1 HRH3 282/4885TBXAS1 2943/4885MEN1 1074/4885
US-20090274978-A1 NOVEL PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS CYP21A2, C1S, C1R HRH3 11/4885TBXAS1 1734/4885MEN1 1211/4885

“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.