SCHEMBL20177159

SCHEMBL20177159

COc1cccc(O)c1C(C)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
TP53 P04637 3/20 0.57
LMNA P02545 2/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ALOX12 P18054 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
TSHR P16473 1/20 0.54
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41

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
SCHEMBL1494114 0.88 MAPT (0.57) MAPTTP53LMNACYP3A4HPGD
SCHEMBL31049564 0.86 MAPT (0.59) MAPTTP53LMNACYP3A4HPGD
SCHEMBL295468 0.86 MAPT (0.59) MAPTTP53LMNACYP3A4HPGD
SCHEMBL2729698 0.80 TRPA1 (0.46) MAPTTP53LMNACYP3A4HPGD
SCHEMBL9820994 0.80 TP53 (0.57) MAPTTP53LMNACYP3A4HPGD
SCHEMBL8192967 0.79 ALDH1A1 (0.48) MAPTTP53LMNACYP3A4HPGD
SCHEMBL6441032 0.76 CA1 (0.50) MAPTTP53LMNACYP3A4HPGD
SCHEMBL23861556 0.76 CA2 (0.53) MAPTTP53LMNACYP3A4HPGD
SCHEMBL29127762 0.75 ALDH1A1 (0.45) MAPTTP53LMNACYP3A4HPGD
SCHEMBL3438872 0.73 CA1 (0.52) MAPTTP53LMNACYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 US disclosed
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 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-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 MAPT 4089/4885TP53 1727/4885LMNA 3419/4885

“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.