SCHEMBL92314

SCHEMBL92314

CCC(C)(C)C(=O)OCOC1CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTT P42858 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
RIPK1 Q13546 1/20 0.40
KDM4E B2RXH2 1/20 0.40
XBP1 P17861 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 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
SCHEMBL2740636 0.85 IDO1 (0.49) IDO1FFAR1ALDH1A1KMT2AMAPK1
SCHEMBL9610702 0.81 IDO1 (0.44) IDO1FFAR1ALDH1A1MAPK1MAPK14
SCHEMBL12416519 0.81 IDO1 (0.43) IDO1FFAR1ALDH1A1MAPK1MAPK14
SCHEMBL92270 0.78 IDO1 (0.47) IDO1FFAR1ALDH1A1KMT2AMEN1
SCHEMBL16746673 0.78 SSTR4 (0.38) GAAMAPK1RIPK1KDM4E
SCHEMBL2740661 0.77 IDO1 (0.46) IDO1FFAR1MAPK1MAPK14HTT
SCHEMBL92296 0.76 RIPK1 (0.39) IDO1FFAR1ALDH1A1RIPK1KDM4E
SCHEMBL14825898 0.76 MAPK1 (0.42) ALDH1A1KMT2AMEN1GAAMAPK1
SCHEMBL15825182 0.75 ALDH1A1 (0.50) IDO1FFAR1ALDH1A1KMT2AMEN1
SCHEMBL10340150 0.74 IDO1 (0.62) IDO1FFAR1ALDH1A1KMT2AHTT

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-8129086-B2 Polymerizable compound, polymer, positive resist composition, and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20090297979-A1 Polymerizable compound, polymer, positive resist composition, and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-03 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-20090297979-A1 Polymerizable compound, polymer, positive resist composition, and patterning process using the same PRRC2A, PUF60, POLR2B IDO1 4883/4885FFAR1 1633/4885ALDH1A1 3867/4885

“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.