SCHEMBL13159409

SCHEMBL13159409

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.41
THRB P10828 2/20 0.39
RAB9A P51151 2/20 0.39
PTPN7 P35236 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.38
PPARG P37231 4/20 0.37
PPARD Q03181 3/20 0.37
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 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

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
SCHEMBL13159322 0.87 PPARA (0.45) PPARAKDM4EALDH1A1THRBRAB9A
SCHEMBL13159552 0.84 KDM4E (0.41) PPARAKDM4EALDH1A1RAB9APTPN7
SCHEMBL13159427 0.83 KDM4E (0.46) PPARAKDM4EALDH1A1THRBRAB9A
SCHEMBL13159338 0.83 PPARA (0.48) PPARAKDM4EALDH1A1THRBRAB9A
SCHEMBL13159410 0.82 CASR (0.37) MEN1KMT2A
SCHEMBL13159412 0.77 ABCB1 (0.41) KDM4EALDH1A1MAPK1TDP1MEN1
SCHEMBL13159411 0.77 EPHX1 (0.34) THRB
SCHEMBL27214688 0.76 THRB (0.68) PPARAKDM4EALDH1A1THRBRAB9A
SCHEMBL24045504 0.74 THRB (0.56) PPARAKDM4EALDH1A1THRBRAB9A
SCHEMBL13211521 0.73 THRB (0.37) KDM4EALDH1A1THRBRAB9AMAPK1

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 PPARA 3594/4885KDM4E 4077/4885ALDH1A1 1743/4885

“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.