SCHEMBL20101689

SCHEMBL20101689

COc1cccc(-c2cc3c(cc2C=O)OCO3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ERN1 O75460 2/20 0.47
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL29693292 0.79 PTGS2 (0.48) LMNAHPGDMAPTERN1ALDH1A1
SCHEMBL915780 0.79 PTGS2 (0.48) LMNAHPGDMAPTERN1ALDH1A1
SCHEMBL6404699 0.79 ERN1 (0.59) LMNAERN1ALDH1A1
SCHEMBL895794 0.78 ERN1 (0.55) LMNAERN1ALDH1A1GAA
SCHEMBL30749667 0.78 ERN1 (0.55) LMNAERN1ALDH1A1GAA
SCHEMBL18002967 0.76 ERN1 (0.52) LMNAERN1ALDH1A1GAA
SCHEMBL5736902 0.76 ERN1 (0.52) LMNAERN1ALDH1A1GAA
SCHEMBL6732299 0.75 PTGS2 (0.62) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL6725679 0.74 PTGS2 (0.57) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL25195666 0.74 ERN1 (0.51) LMNAHPGDNPC1RAB9AMAPT

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
WO-2018081672-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-03 WO disclosed
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS UNIV CALIFORNIA (US) 2018-05-03 US disclosed
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS UNIV CALIFORNIA (US) 2018-05-03 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-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS EPHA2, L1CAM, ERBB2 LMNA 2129/4885HPGD 2910/4885NPC1 4497/4885

“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.