SCHEMBL2234725

SCHEMBL2234725

COC(=O)c1c(C(O)c2ccccc2CO)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
SIRT2 Q8IXJ6 12/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
MAPK1 P28482 1/20 0.31
NMBR P28336 1/20 0.31

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
SCHEMBL2236527 0.73 KDM4E (0.40) ALDH1A1MAPK1
SCHEMBL2233946 0.70 KCNN4 (0.36) ALDH1A1MAPK1
SCHEMBL5791526 0.66 PIN1 (0.35) ALDH1A1
SCHEMBL12255735 0.66 DPP4 (0.37)
SCHEMBL1423832 0.65 TSHR (0.44) ALDH1A1
SCHEMBL11332456 0.65 KCNN4 (0.42) ALDH1A1MAPK1
SCHEMBL6885776 0.63 CYP2C19 (0.33) ALDH1A1
SCHEMBL3070854 0.62 TSHR (0.42) ALDH1A1
SCHEMBL8499951 0.62 KCNN4 (0.36) ALDH1A1SIRT2
SCHEMBL7310245 0.62 CYP11B1 (0.34) ALDH1A1

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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 ALDH1A1 4182/4885SIRT2 3685/4885EDNRB 1702/4885

“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.