SCHEMBL17429720

SCHEMBL17429720

Cc1cc(C(C)(C)c2cc(C)c(OCC3CO3)c(COCC3CO3)c2)cc(COCC2CO2)c1OCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 5/20 0.49
TP53 P04637 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP1A2 P05177 1/20 0.49
PPARG P37231 1/20 0.49
MAPK1 P28482 1/20 0.39
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
VDR P11473 1/20 0.32
PKM P14618 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL2830269 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL17429721 0.82 ALDH1A1 (0.39) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL15835600 0.81 TSHR (0.69) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL20090049 0.80 ALDH1A1 (0.54) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2832966 0.80 ALDH1A1 (0.54) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2836746 0.78 ALDH1A1 (0.49) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL19354028 0.78 ALDH1A1 (0.53) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL1753658 0.78 ALDH1A1 (0.68) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL21846072 0.77 ALDH1A1 (0.51) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL17426916 0.76 ALDH1A1 (0.42) ALDH1A1TSHRTP53MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233522-A1 PHENOLIC EPOXY COMPOUNDS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2017-08-17 US disclosed
US-20170233357-A1 PHENOLIC EPOXY COMPOUNDS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2017-08-17 US disclosed
US-20160009672-A1 PHENOLIC EPOXY COMPOUNDS CRESTLINE DIRECT FINANCE, L.P. 2016-01-14 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 (3 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-20170233522-A1 PHENOLIC EPOXY COMPOUNDS ESR1, PTGES, COMT ALDH1A1 741/4885TSHR 4617/4885TP53 2047/4885
US-20160009672-A1 PHENOLIC EPOXY COMPOUNDS COMT, ESR1, EED ALDH1A1 744/4885TSHR 4589/4885TP53 2288/4885
US-20170233357-A1 PHENOLIC EPOXY COMPOUNDS COMT, ESR1, EED ALDH1A1 744/4885TSHR 4589/4885TP53 2288/4885

“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.