SCHEMBL18280772

SCHEMBL18280772

COc1cc(O)cc(-c2cc(=O)c3cc4c(cc3[nH]2)COO4)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HPGD P15428 6/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL340481 0.82
SCHEMBL10200068 0.68
SCHEMBL340391 0.65
SCHEMBL13232484 0.65
SCHEMBL10268033 0.65 CTSV (0.48)
SCHEMBL8980231 0.61 NPC1 (0.57) NPC1
SCHEMBL31552893 0.60 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL26846955 0.60 HPGD (0.71) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL2465149 0.59 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL31237652 0.59 ALDH1A1 (0.82) ALDH1A1HPGDKDM4EMAPTNPC1

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-9717721-B2 Use of aryl-quinolin derivatives as inhibitors of vasculogenic mimicry TAIRX, INC. (TW) 2017-08-01 US disclosed
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 1091/4885HPGD 303/4885KDM4E 1014/4885

“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.