SCHEMBL6322182

SCHEMBL6322182

COc1cc(C2(CN3CCC(C(=O)O)CC3)C=CC=CN2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NEK2 P51955 3/20 0.39
PLK1 P53350 1/20 0.39
NEK1 Q96PY6 1/20 0.39
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
APEX1 P27695 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6320777 0.88 ALDH1A1 (0.48) POLBKMT2AMEN1ALDH1A1HTT
Hydrochloric Acid SCHEMBL7673032 0.73 SMN1; SMN2 (0.31) KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL6326444 0.73 CHEK1 (0.34) SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL5203080 0.72 SLC18A2 (0.32) KMT2AMEN1KDM4E
SCHEMBL28219784 0.71 POLB (0.67) PDCD1CD274POLBKMT2AMEN1
Hydrochloric Acid SCHEMBL7675998 0.71 KMT2A (0.34) KMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL6321579 0.71 ZAP70 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL6319371 0.70 MAP3K11 (0.30)
SCHEMBL7461309 0.67 PDCD1 (0.63) PDCD1CD274POLBKMT2AMEN1
SCHEMBL3271717 0.66 ALDH1A1 (0.52) PDCD1CD274NEK2PLK1NEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 PDCD1 4542/4885CD274 3848/4885NEK2 205/4885

“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.