SCHEMBL17550552

SCHEMBL17550552

CC(C)C(=O)OCC(=O)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
HTT P42858 3/20 0.46
CYP2C19 P33261 1/20 0.45
EPHX1 P07099 2/20 0.43
CYP19A1 P11511 3/20 0.42
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
CACNA1B Q00975 1/20 0.33

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
SCHEMBL26016646 0.86 NAAA (0.45) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL9916135 0.85 NAAA (0.47) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL19472060 0.83 CYP2C19 (0.46) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL9916130 0.83 NAAA (0.46) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL12705304 0.82 CYP2C19 (0.45) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL12705302 0.82 CYP2C19 (0.45) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL12705255 0.82 CYP2C19 (0.45) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL6903027 0.81 NAAA (0.50) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL3271214 0.81 HTT (0.43) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL27436950 0.81 CYP2C19 (0.44) NAAAHTTCYP2C19EPHX1CYP19A1

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-9760005-B2 Salt, acid generator, resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
US-20160062233-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-03 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-20160062233-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN XDH, HAX1, MLX NAAA 1740/4885HTT 2843/4885CYP2C19 1775/4885

“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.