SCHEMBL21768002

SCHEMBL21768002

CCOP(=O)(CC)OCc1ccc(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
ATM Q13315 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LDHA P00338 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
CYP19A1 P11511 1/20 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
SCHEMBL5213455 0.87 HTT (0.45) TSHRKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL27813654 0.84 CA2 (0.50) CA2TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL9950354 0.83 CA2 (0.52) CA2CYP1A2CYP3A4CYP2D6BLM
SCHEMBL30477927 0.83 CA2 (0.52) CA2CYP1A2CYP3A4CYP2D6BLM
SCHEMBL3765408 0.80 TSHR (0.50) TSHRALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL29024815 0.78 TSHR (0.48) TSHRSMN1; SMN2NPC1POLBMEN1
SCHEMBL27792356 0.78 CA2 (0.53) CA2TSHRCYP1A2CYP3A4ATM
SCHEMBL6042848 0.76 TSHR (0.50) TSHRCYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL4586654 0.76 TSHR (0.54) TSHRKDM4EALDH1A1LMNAPOLB
SCHEMBL3196647 0.76 TSHR (0.54) CA2TSHRKDM4EALDH1A1NPC1

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
US-11389411-B2 Pharmaceutical composition, containing NM23 activator, for inhibiting cancer metastasis EWHA University—Industry Collaboration Foundation (KR) 2022-07-19 US disclosed
US-20200078319-A1 PHARMACEUTICAL COMPOSITION, CONTAINING NM23 ACTIVATOR, FOR INHIBITING CANCER METASTASIS EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2020-03-12 US disclosed
EP-3616692-A1 PHARMACEUTICAL COMPOSITION, CONTAINING NM23 ACTIVATOR, FOR INHIBITING CANCER METASTASIS Ewha University-Industry Collaboration Foundation (KR) 2020-03-04 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 (2 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-20200078319-A1 PHARMACEUTICAL COMPOSITION, CONTAINING NM23 ACTIVATOR, FOR INHIBITING CANCER METASTASIS NME1, NTPCR, NME2 CA2 562/4885TSHR 4602/4885CYP1A2 4727/4885
US-11389411-B2 Pharmaceutical composition, containing NM23 activator, for inhibiting cancer metastasis NME1, NTPCR, NME2 CA2 562/4885TSHR 4602/4885CYP1A2 4727/4885

“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.