SCHEMBL6723402

SCHEMBL6723402

CCCC[S+](CCCC)CC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.37
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
CES2 O00748 11/20 0.36
AKR1B1 P15121 1/20 0.33
TP53 P04637 1/20 0.33
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
TSHR P16473 2/20 0.32
GPR84 Q9NQS5 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
TLR2 O60603 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
FABP4 P15090 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL6549639 0.83 EPHX2 (0.36) CES1ALDH1A1TDP1CES2TP53
Trifluoromethanesulfonic Acid SCHEMBL6550723 0.82 KCNH2 (0.36) CES1CES2MEN1KMT2AHSD17B10
SCHEMBL9635478 0.80 AKR1B1 (0.44) CES1ALDH1A1TDP1CES2AKR1B1
SCHEMBL685330 0.78 TDP1 (0.41) CES1ALDH1A1TDP1CES2AKR1B1
SCHEMBL6728106 0.76 CES1 (0.44) CES1ALDH1A1TDP1CES2AKR1B1
SCHEMBL6723160 0.76 CES2 (0.42) CES1ALDH1A1TDP1CES2AKR1B1
SCHEMBL686056 0.75 FAAH (0.34) CES1ALDH1A1CES2AKR1B1MEN1
SCHEMBL6727752 0.75 CA1 (0.33) CES1CES2MEN1KMT2A
SCHEMBL6725752 0.75 KMT2A (0.48) CES1ALDH1A1TDP1CES2AKR1B1
SCHEMBL9635543 0.73 AKR1B1 (0.48) CES1ALDH1A1TDP1CES2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170115571-A1 PATTERN FORMING METHOD AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE USING SAME FUJIFILM CORPORATION (JP) 2017-04-27 US disclosed
US-20170115571-A1 PATTERN FORMING METHOD AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE USING SAME FUJIFILM CORPORATION (JP) 2017-04-27 US disclosed
US-9429840-B2 Pattern forming method, composition used therein, method for manufacturing electronic device, and electronic device FUJIFILM CORPORATION (JP) 2016-08-30 US disclosed
US-20150118627-A1 PATTERN FORMING METHOD, COMPOSITION USED TEHREIN, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2015-04-30 US disclosed
US-8735044-B2 Salt and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-27 US disclosed
US-8426106-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-23 US disclosed
US-20130078434-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, RESIST FILM, PATTERN FORMING METHOD, ELECTRONIC DEVICE MANUFACTURING METHOD, AND ELECTRONIC DEVICE, EACH USING THE SAME FUJIFILM CORPORATION (JP) 2013-03-28 US disclosed
US-20110171576-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-14 US disclosed
US-20110091807-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 US disclosed
US-20100304293-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-02 US disclosed
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 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-20100304293-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME F12, H1-0, C1S CES1 2678/4885ALDH1A1 2303/4885TDP1 2246/4885
US-20110091807-A1 PHOTORESIST COMPOSITION H1-0, H1-2, H1-3 CES1 1047/4885ALDH1A1 1807/4885TDP1 2176/4885
US-20110171576-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME CLIC1, SLC10A6, APOL1 CES1 874/4885ALDH1A1 2416/4885TDP1 4566/4885

“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.