SCHEMBL805254

SCHEMBL805254

CN[C@H](Cc1ccc(OC)c(OC)c1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.69
FPR2 P25090 1/20 0.57
ATM Q13315 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CA2 P00918 1/20 0.51
MAPK1 P28482 1/20 0.50
MMP1 P03956 2/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
PPARG P37231 1/20 0.48
MME P08473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL10065588 1.00 LDHA (0.69) LDHAFPR2ATMALDH1A1CA2
SCHEMBL22445012 1.00 LDHA (0.69) LDHAFPR2ATMALDH1A1CA2
SCHEMBL31267220 1.00 LDHA (0.69) LDHAFPR2ATMALDH1A1CA2
SCHEMBL22539031 0.88 ALOX15 (0.59) LDHAFPR2ALOX15ALOX12
SCHEMBL22108718 0.88 FOS (0.59) LDHAALDH1A1MAPK1MMP1ALOX15
SCHEMBL22108989 0.88 FOS (0.59) LDHAALDH1A1MAPK1MMP1ALOX15
SCHEMBL13489109 0.88 LDHA (0.69) LDHAFPR2ATMALDH1A1MAPK1
SCHEMBL16174127 0.88 LDHA (0.60) LDHAFPR2ATMALDH1A1CA2
SCHEMBL15105329 0.87 LDHA (0.52) LDHAFPR2ATMALDH1A1CA2
SCHEMBL22444776 0.87 LDHA (0.56) LDHAFPR2ALDH1A1MAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 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 LDHA 3634/4885FPR2 1900/4885ATM 4805/4885

“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.