SCHEMBL805216

SCHEMBL805216

CNc1ccc(OC)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
MAPT P10636 6/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
GFER P55789 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 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
SCHEMBL3833657 0.86 ALDH1A1 (0.50) POLBALDH1A1MAPTGFERHSD17B10
SCHEMBL12853005 0.86 EGFR (0.55) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL12800015 0.86 POLB (0.51) POLBALDH1A1KDM4EHPGDLCK
SCHEMBL25167821 0.86 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL12041039 0.84 MAPT (0.58) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL11368920 0.84 MAPT (0.57) POLBALDH1A1KDM4EHPGDLCK
SCHEMBL12852646 0.84 POLB (0.55) POLBALDH1A1MAPTGFERHSD17B10
SCHEMBL13973827 0.84 KMT2A (0.50) POLBALDH1A1KDM4EMAPTGFER
SCHEMBL7000380 0.83 ALDH1A1 (0.59) POLBALDH1A1KDM4EMAPTPPARG
SCHEMBL28887863 0.81 LCK (0.49) POLBALDH1A1KDM4EHPGDLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020023356-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-30 WO disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 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-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT POLB 72/4885ALDH1A1 2470/4885KDM4E 4000/4885

“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.