SCHEMBL15216367

SCHEMBL15216367

CCC(C)(C)C(=O)OCC(=O)OC(=O)c1cccc2c(O)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 3/20 0.42
▸ ESR1 P03372 5/20 0.37
▸ ESR2 Q92731 5/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ ADRB2 P07550 2/20 0.35
▸ ADRB1 P08588 2/20 0.35
▸ ADRB3 P13945 2/20 0.35
▸ GAA P10253 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CCR6 P51684 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
SCHEMBL15113881 0.84 CDC25B (0.47) CDC25BESR1ESR2KMT2AMEN1
SCHEMBL14001987 0.80 ESR1 (0.45) CDC25BESR1ESR2KMT2AMEN1
SCHEMBL17737119 0.76 KDM4E (0.44) CDC25BADRB2ADRB1ADRB3KDM4E
SCHEMBL8738362 0.74 CDC25B (0.39) CDC25BESR1ESR2CA12CA1
SCHEMBL4465565 0.72 CDC25B (0.69) CDC25BESR1ESR2KMT2AMEN1
SCHEMBL14461688 0.72 TYR (0.38) CDC25BCA12CA1CA2CA7
SCHEMBL20215428 0.72 CDC25B (0.45) CDC25BESR1ESR2KMT2AMEN1
SCHEMBL15113874 0.71 IDO1 (0.42) CDC25BESR1ESR2KMT2AMEN1
SCHEMBL92373 0.71 ESR1 (0.51) CDC25BESR1ESR2KMT2AMEN1
SCHEMBL11060407 0.70 ALDH1A1 (0.64) CDC25BESR1ESR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160259242-A1 NOVEL ONIUM SALT COMPOUND, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-09-08 — — US disclosed
US-9221742-B2 Sulfonium salt, chemically amplified resist composition, and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-29 — — US disclosed
US-20150086926-A1 SULFONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-03-26 — — US disclosed
US-20130224660-A1 PREPARATION OF POLYMER, RESULTING POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-29 — — 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-20160259242-A1 NOVEL ONIUM SALT COMPOUND, RESIST COMPOSITION, AND PATTERN FORMING PROCESS LIFR, NHERF1, INSR CDC25B 2401/4885ESR1 1684/4885ESR2 2252/4885
US-20150086926-A1 SULFONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERN FORMING PROCESS CA2, CASR, CECR2 CDC25B 2078/4885ESR1 349/4885ESR2 409/4885

“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.

Send feedback