SCHEMBL2226744

SCHEMBL2226744

CCOC(=O)COc1cc(OC)ccc1C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.48
NTSR1 P30989 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABCB1 P08183 1/20 0.46

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
SCHEMBL2013386 0.91 HPGD (0.56) ALDH1A1HPGDCYP3A4MAPK1MEN1
SCHEMBL4051742 0.90 ALDH1A1 (0.52) PTPN1ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL11279104 0.87 ALDH1A1 (0.54) ALDH1A1HPGDCYP3A4MAPK1MEN1
SCHEMBL13968771 0.85 GAA (0.49) ALDH1A1HPGDCYP3A4MAPTNPSR1
SCHEMBL3643251 0.85 PTPN1 (0.49) PTPN1ALDH1A1HPGDCYP3A4MEN1
SCHEMBL7497130 0.85 KDM4E (0.61) ALDH1A1HPGDCYP3A4MAPK1MEN1
SCHEMBL10545845 0.84 HPGD (0.52) ALDH1A1HPGDCYP3A4MEN1KMT2A
SCHEMBL10540515 0.84 HPGD (0.55) ALDH1A1HPGDCYP3A4MEN1KMT2A
SCHEMBL17327987 0.83 ALDH1A1 (0.54) PTPN1ALDH1A1HPGDCYP3A4MEN1
SCHEMBL5272109 0.83 PTGDR2 (0.54) ALDH1A1HPGDCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307525-A Iridoid compound, preparation method thereof, pharmaceutical composition and application thereof 安徽中医药大学 2024-07-09 CN disclosed
EP-2516445-B1 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON INC (US) 2015-03-11 EP disclosed
EP-2516445-B1 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON INC (US) 2015-03-11 EP disclosed
US-8765779-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2014-07-01 US disclosed
US-8765779-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2014-07-01 US disclosed
US-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-22 US disclosed
US-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-22 US disclosed
EP-2516445-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Cephalon, Inc. (US) 2012-10-31 EP disclosed
WO-2011087712-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON, INC. (US) 2011-07-21 WO disclosed
WO-2011087712-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON, INC. (US) 2011-07-21 WO 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-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP3A43, CYP3A7, CYP2C19 PTPN1 3861/4885ALDH1A1 705/4885HPGD 125/4885

“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.