SCHEMBL5485543

SCHEMBL5485543

[CH2]CCOCCOC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
PRKCA P17252 1/20 0.45
CYP17A1 P05093 2/20 0.43
CYP19A1 P11511 2/20 0.43
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
XBP1 P17861 1/20 0.38
LMNA P02545 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
SCHEMBL6707221 0.88 ALDH1A1 (0.47) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL12132675 0.86 ALDH1A1 (0.58) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL12972106 0.85 PRKCA (0.50) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL17471624 0.83 ALDH1A1 (0.46) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL482692 0.83 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL8489891 0.81 THRB (0.50) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL481971 0.81 ALDH1A1 (0.50) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL1439271 0.78 ALDH1A1 (0.54) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL12972074 0.77 ALDH1A1 (0.44) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL12972101 0.77 PRKCA (0.56) ALDH1A1NPSR1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070298352-A1 NOVEL SULFONATE SALTS AND DERIVATIVES, PHOTOACID GENERATORS, RESIST COMPOSITIONS, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-12-27 US disclosed
US-20050238993-A1 Nitrogen-containing organic compound, chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2005-10-27 US disclosed
US-20040234885-A1 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-11-25 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-20070298352-A1 NOVEL SULFONATE SALTS AND DERIVATIVES, PHOTOACID GENERATORS, RESIST COMPOSITIONS, AND PATTERNING PROCESS HCN3, ASIC3, TST ALDH1A1 2781/4885NPSR1 3263/4885MEN1 2788/4885

“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.