SCHEMBL14325441

SCHEMBL14325441

COc1cc(OC)nc(O[C@H](C(=O)O)C(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.52
EDNRA P25101 16/20 0.52
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL7825117 1.00 EDNRB (0.52) EDNRBEDNRALMNATDP1KDM4E
SCHEMBL14298973 0.87 EDNRB (0.46) EDNRBEDNRALMNATDP1
SCHEMBL14298965 0.87 EDNRB (0.46) EDNRBEDNRALMNATDP1
SCHEMBL12095218 0.85 EDNRB (0.45) EDNRBEDNRALMNATDP1KDM4E
SCHEMBL7808396 0.85 EDNRB (0.45) EDNRBEDNRALMNATDP1KDM4E
SCHEMBL7814761 0.84 EDNRB (0.49) EDNRBEDNRALMNATDP1
SCHEMBL9083425 0.84 EDNRB (0.45) EDNRBEDNRALMNATDP1KDM4E
SCHEMBL9372620 0.83 EDNRB (0.50) EDNRBEDNRALMNATDP1
SCHEMBL9084366 0.83 EDNRB (0.44) EDNRBEDNRALMNATDP1
SCHEMBL14325404 0.83 EDNRB (0.55) EDNRBEDNRALMNATDP1KDM4E

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-9573907-B2 2, 4-pyrimidine derivatives and use thereof SNU R&DB FOUNDATION (KR) 2017-02-21 US disclosed
US-20120322802-A1 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-20 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-20120322802-A1 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF LY96, AIMP1, NLRP1 EDNRB 4586/4885EDNRA 4633/4885LMNA 1256/4885

“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.