SCHEMBL18294652

SCHEMBL18294652

COc1cc(C)cc(-c2cc(O)c3cc4c(cc3n2)OCO4)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 7/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 3/20 0.42
PKM P14618 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ATM Q13315 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
APEX1 P27695 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL18296578 0.89 CALM1 (0.43) ALDH1A1KDM4EHPGDNPSR1LMNA
SCHEMBL18294656 0.85 MEN1 (0.38) ALDH1A1KDM4EHPGDNPSR1LMNA
SCHEMBL18294655 0.85 MEN1 (0.43) ALDH1A1KDM4EHPGDNPSR1LMNA
SCHEMBL10200347 0.84 APEX1 (0.39) ALDH1A1KDM4EHPGDNPSR1LMNA
SCHEMBL8001457 0.74 MAPT (0.51) ALDH1A1KDM4EHPGDNPSR1LMNA
SCHEMBL18294654 0.72 KDM4E (0.40) ALDH1A1KDM4EHPGDNPSR1LMNA
SCHEMBL10200336 0.71 APEX1 (0.40) ALDH1A1KDM4EHPGDNPSR1LMNA
SCHEMBL14500788 0.68 KDM4E (0.51) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL13647124 0.67 KDM4E (0.57) ALDH1A1KDM4EHPGDLMNAADORA1
SCHEMBL8170824 0.67 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDLMNAMEN1

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-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC. (TW) 2016-12-08 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-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TEK, FLT1, VHL ALDH1A1 1091/4885KDM4E 1014/4885HPGD 303/4885

“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.