SCHEMBL13159552

SCHEMBL13159552

C=C(C)C(=O)OC(C)(CC)CCOc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARA Q07869 4/20 0.40
RAB9A P51151 2/20 0.39
PTPN7 P35236 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 1/20 0.38
PPARG P37231 5/20 0.37
PPARD Q03181 3/20 0.37
NPC1 O15118 2/20 0.36
RECQL P46063 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL13159345 0.87 KDM4E (0.43) KDM4EALDH1A1PPARARAB9APTPN7
SCHEMBL13159409 0.84 PPARA (0.42) KDM4EALDH1A1PPARARAB9APTPN7
SCHEMBL13159586 0.83 KDM4E (0.45) KDM4EALDH1A1PPARARAB9APTPN7
SCHEMBL13159401 0.83 KDM4E (0.47) KDM4EALDH1A1PPARARAB9APTPN7
SCHEMBL13159568 0.82 CASR (0.37)
SCHEMBL13159594 0.80 GPR84 (0.35) KDM4EALDH1A1PPARATDP1MEN1
SCHEMBL13159583 0.79 KDM4E (0.49) KDM4EALDH1A1TDP1KMT2A
SCHEMBL13159579 0.79 CXCR2 (0.36) KDM4EALDH1A1PPARAMAPK1HDAC1
SCHEMBL13159554 0.77 EPHX1 (0.34)
SCHEMBL13159570 0.77 KDM4E (0.41) KDM4EALDH1A1TDP1MAPK1MEN1

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-8808960-B2 Compound and chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-8808960-B2 Compound and chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20100233628-A1 COMPOUND AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20100233628-A1 COMPOUND AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 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-20100233628-A1 COMPOUND AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION HRH3, C9, H1-2 KDM4E 4077/4885ALDH1A1 1743/4885PPARA 3594/4885

“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.