SCHEMBL16859924

SCHEMBL16859924

CCOC(=O)C(OCC)(C(=O)OCC)C(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.46
MMP8 P22894 2/20 0.44
TSHR P16473 2/20 0.43
CYP1A2 P05177 3/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCB11 O95342 1/20 0.43
GABRA2 P47869 1/20 0.43
MDM4 O15151 1/20 0.42
MAPT P10636 1/20 0.42
MDM2 Q00987 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL29688898 0.82 PIN1 (0.50) PIN1MMP8TSHRCYP1A2LMNA
SCHEMBL18979501 0.82 PIN1 (0.50) PIN1MMP8TSHRCYP1A2LMNA
SCHEMBL18979500 0.82 PIN1 (0.50) PIN1MMP8TSHRCYP1A2LMNA
SCHEMBL15419570 0.81 PIN1 (0.49) PIN1MMP8TSHRCYP1A2LMNA
SCHEMBL23375491 0.77 MMP8 (0.47) PIN1MMP8TSHRLMNAMDM4
SCHEMBL21447238 0.77 MMP8 (0.47) PIN1MMP8TSHRLMNAMDM4
SCHEMBL21447193 0.77 MMP8 (0.47) PIN1MMP8TSHRLMNAMDM4
SCHEMBL2047572 0.76 SMN1; SMN2 (0.44) PIN1MMP8TSHRCYP1A2LMNA
SCHEMBL12733125 0.75 ALDH1A1 (0.55) PIN1MMP8TSHRLMNAMDM4
SCHEMBL27774182 0.75 MMP8 (0.44) PIN1MMP8TSHRLMNACYP3A4

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
CN-104744732-B Optical film, polarizing plate and liquid crystal display device using the same, and compound 富士胶片株式会社 2020-03-03 CN disclosed
US-20150185368-A1 OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY USING THE SAME, AND COMPOUND FUJIFILM CORPORATION (JP) 2015-07-02 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-20150185368-A1 OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY USING THE SAME, AND COMPOUND C1R, C1S, C3AR1 PIN1 2340/4885MMP8 2391/4885TSHR 2143/4885

“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.