SCHEMBL12705103

SCHEMBL12705103

CCC(C)(C)C(=O)O/N=C(/c1ccccc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.39
PRSS1 P07477 3/20 0.38
CTSG P08311 3/20 0.38
CTRB1 P17538 3/20 0.38
CMA1 P23946 3/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RIPK1 Q13546 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TNF P01375 1/20 0.36
KLF5 Q13887 1/20 0.36
NOD1 Q9Y239 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10169736 1.00 CES1 (0.39) CES1PRSS1CTSGCTRB1CMA1
SCHEMBL11963886 0.82 ALDH1A1 (0.43) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL11963885 0.81 MAPT (0.49) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL11963878 0.79 ATM (0.47) CES1PRSS1CTSGCTRB1CMA1
SCHEMBL12705110 0.77 POLB (0.33) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL10150848 0.77 POLB (0.33) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL11963860 0.77 KDM4E (0.44) CES1PRSS1CTSGCTRB1CMA1
SCHEMBL10150850 0.76 TDP1 (0.35) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL10150854 0.76 TDP1 (0.35) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL775651 0.74 ELANE (0.44) CES1NPSR1TNFKLF5NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426106-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-23 US disclosed
US-20110091807-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 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 (1 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-20110091807-A1 PHOTORESIST COMPOSITION H1-0, H1-2, H1-3 CES1 1047/4885PRSS1 3454/4885CTSG 2160/4885

“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.