SCHEMBL5755181

SCHEMBL5755181

CCOC(=O)C(CC(C)=O)C(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31

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
SCHEMBL9798112 0.85 TDP1 (0.35) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL1061575 0.85 GAA (0.40) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL6469637 0.82 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL15159287 0.82 GAA (0.38) ALDH1A1HSD17B10HDAC4HDAC6TDP1
SCHEMBL26968700 0.82 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10HDAC4HDAC6
SCHEMBL2097011 0.82 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TDP1HPGD
SCHEMBL5001158 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TDP1HPGD
SCHEMBL9569276 0.78 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL8577401 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TDP1HPGD
SCHEMBL20782375 0.78 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
WO-2014071247-A1 PYRROL-1 -YL BENZOIC ACID DERIVATES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-05-08 WO disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed
US-5405865-A Pyrethroid esters ROUSSEL-UCLAF (FR) 1995-04-11 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 (2 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP ALDH1A1 783/4885LMNA 2989/4885HSD17B10 151/4885
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 ALDH1A1 963/4885LMNA 1460/4885HSD17B10 2029/4885

“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.