SCHEMBL10064072

SCHEMBL10064072

C=C(C)C(=O)OCC1OCCO1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
TSHR P16473 4/20 0.48
THRB P10828 1/20 0.41
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDK1 Q15118 1/20 0.30
NLRP3 Q96P20 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL10064060 0.92 ALDH1A1 (0.62) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL28318815 0.81 ALDH1A1 (0.93) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL244871 0.81 ALDH1A1 (0.73) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL15617 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL5098181 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL2048901 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL5098171 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCYP3A4CYP2D6
Oxirane SCHEMBL7257162 0.79 ALDH1A1 (0.89) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL11746808 0.79 ALDH1A1 (0.75) ALDH1A1TSHRTHRBCYP3A4CYP2D6
SCHEMBL9610619 0.79 ALDH1A1 (0.60) ALDH1A1TSHRTHRBCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9645498-B2 Developer and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-09 US disclosed
US-9645498-B2 Developer and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-09 US disclosed
US-20160195813-A1 DEVELOPER AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-07-07 US disclosed
US-20160195813-A1 DEVELOPER AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-07-07 US disclosed
US-8623590-B2 Pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623590-B2 Pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-20120108043-A1 PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108043-A1 PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 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-20160195813-A1 DEVELOPER AND PATTERNING PROCESS USING THE SAME BMPR1A, RER1, BMPR1B ALDH1A1 1508/4885TSHR 3188/4885THRB 3839/4885

“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.