SCHEMBL17779668

SCHEMBL17779668

CCCCOC(=O)C(CC)(CCC(C)=O)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ATM Q13315 2/20 0.38
DGKA P23743 1/20 0.37
TSHR P16473 5/20 0.36
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
HTR2C P28335 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NAAA Q02083 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.33
DNM1 Q05193 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL28102737 0.88 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27607444 0.84 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL9516102 0.82 TSHR (0.46) ALDH1A1ATMTSHRHCAR2L3MBTL1
SCHEMBL1261012 0.81 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6048843 0.80 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8986781 0.80 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27490417 0.79 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL24228619 0.77 DGKA (0.44) ALDH1A1ATMDGKATSHRHPGD
SCHEMBL24228614 0.77 DGKA (0.44) ALDH1A1ATMDGKATSHRHPGD
SCHEMBL17775403 0.76 ALDH1A1 (0.43) ALDH1A1TDP1MEN1KMT2ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145273-A1 PRECATALYST FOR SHIBASAKI'S RARE EARTH METAL BINOLATE CATALYSTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2016-05-26 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-20160145273-A1 PRECATALYST FOR SHIBASAKI'S RARE EARTH METAL BINOLATE CATALYSTS TBCB, RUVBL2, RHEB ALDH1A1 3983/4885ATM 2952/4885DGKA 2659/4885

“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.