SCHEMBL92329

SCHEMBL92329

CCC(C)c1cccc2c(C(=O)OCOC3Cc4ccccc4C3)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
ALDH1A1 P00352 4/20 0.37
CDC25B P30305 2/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
CYP3A4 P08684 2/20 0.34
CA2 P00918 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1D1 P20393 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL14825876 0.79 HSP90AA1 (0.35) TSHRADRB2ADRB1ADRB3HSP90AA1
SCHEMBL92300 0.76 FFAR1 (0.39) TSHRALDH1A1TDP1
SCHEMBL15958400 0.74 CXCR5 (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12416486 0.71 CTSV (0.40) ALDH1A1TDP1KDM4E
SCHEMBL13126080 0.70 TSHR (0.37) TSHRALDH1A1CDC25BADRB2ADRB1
SCHEMBL14749067 0.69 SCN1A (0.37) TSHRALDH1A1CDC25BADRB2ADRB1
SCHEMBL29318958 0.69 TSHR (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL1789940 0.67 TSHR (0.65) TSHRALDH1A1CDC25BTDP1L3MBTL1
SCHEMBL14827405 0.67 RORC (0.34) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL27376822 0.65 TSHR (0.47) TSHRALDH1A1CYP3A4CA2TDP1

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 TSHR 4785/4885ALDH1A1 3867/4885CDC25B 4776/4885

“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.