SCHEMBL2608031

SCHEMBL2608031

CCC(C)c1ccc2cc(OCC(=O)OCC(C)(F)F)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
CYP17A1 P05093 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKR1C3 P42330 4/20 0.44
AKR1C2 P52895 4/20 0.44
ABCB11 O95342 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PTGS1 P23219 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
PTPN13 Q12923 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
RECQL P46063 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL12212758 0.92 CYP17A1 (0.53) ALDH1A1TSHRCYP17A1CYP2C9CYP2C19
SCHEMBL17853797 0.90 ALDH1A1 (0.44) ALDH1A1TSHRCYP17A1CYP2C9CYP2C19
SCHEMBL11987554 0.90 ALDH1A1 (0.46) ALDH1A1TSHRCYP17A1CYP2C9CYP2C19
SCHEMBL14732658 0.89 CYP17A1 (0.44) ALDH1A1TSHRCYP17A1CYP2C9CYP2C19
SCHEMBL2608035 0.89 ALDH1A1 (0.59) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL10175766 0.85 ALDH1A1 (0.46) ALDH1A1TSHRCYP17A1CYP2C9CYP2C19
SCHEMBL2608015 0.84 ALDH1A1 (0.43) ALDH1A1CYP17A1CYP2C9CYP2C19AKR1C3
SCHEMBL2608029 0.83 AKR1C3 (0.38) ALDH1A1TSHRCYP17A1CYP2C9CYP2C19
SCHEMBL14119015 0.83 ALDH1A1 (0.51) ALDH1A1TSHRCYP17A1CYP2C9CYP2C19
SCHEMBL10175854 0.82 AKR1C3 (0.48) ALDH1A1TSHRCYP17A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180210338-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-26 US disclosed
US-20180072651-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2018-03-15 US disclosed
US-20180037534-A1 RESIST COMPOSITION AND METHOD FOR FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2018-02-08 US disclosed
US-8980524-B2 Positive resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2015-03-17 US disclosed
US-8790868-B2 Method of forming resist pattern and negative tone-development resist composition TOKYO OHKA KOGYO CO., LTD. (JP) 2014-07-29 US disclosed
US-8771921-B2 Negative resist composition, method of forming resist pattern and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2014-07-08 US disclosed
US-8642244-B2 Resist composition for immersion exposure, method of forming resist pattern using the same, and fluorine-containing compound TOKYO OHKA KOGYO CO., LTD. (JP) 2014-02-04 US disclosed
US-8501387-B2 2013-08-06 US disclosed
US-8475997-B2 Resist composition for immersion exposure, method of forming resist pattern, and fluorine-containing polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2013-07-02 US disclosed
US-8450044-B2 Positive resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2013-05-28 US disclosed
US-8404428-B2 Positive resist composition, method of forming resist pattern using the same, and fluorine-containing polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2013-03-26 US disclosed
US-20120276481-A1 METHOD OF FORMING RESIST PATTERN AND NEGATIVE TONE-DEVELOPMENT RESIST COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2012-11-01 US disclosed
US-8252509-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2012-08-28 US disclosed
US-20120164581-A1 NEGATIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN AND POLYMERIC COMPOUND SHO ABE (JP) 2012-06-28 US disclosed
US-20120094236-A1 RESIST COMPOSITION FOR IMMERSION EXPOSURE, METHOD OF FORMING RESIST PATTERN, AND FLUORINE-CONTAINING POLYMERIC COMPOUND SHIONO DAIJU (JP) 2012-04-19 US disclosed
US-20120077125-A1 RESIST COMPOSITION FOR IMMERSION EXPOSURE, METHOD OF FORMING RESIST PATTERN USING THE SAME, AND FLUORINE-CONTAINING COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-03-29 US disclosed
US-20110236824-A1 POSITIVE RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2011-09-29 US disclosed
US-20110117499-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN USING THE SAME, AND FLUORINE-CONTAINING POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2011-05-19 US disclosed
US-20110117491-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2011-05-19 US disclosed
US-20110111343-A1 POSITIVE RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2011-05-12 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 (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-20180037534-A1 RESIST COMPOSITION AND METHOD FOR FORMING RESIST PATTERN RER1, BRIX1, HAX1 ALDH1A1 1390/4885TSHR 2554/4885CYP17A1 2995/4885
US-20180072651-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN RPL21, RER1, RPS21 ALDH1A1 1377/4885TSHR 3574/4885CYP17A1 1751/4885

“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.