SCHEMBL412420

SCHEMBL412420

COc1ccc(-c2cnnn2-c2cc(OC)c3c(c2)OCO3)c(P(=O)(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
ACHE P22303 2/20 0.38
APP P05067 1/20 0.38
LMNA P02545 3/20 0.36
ALKBH5 Q6P6C2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.34
AHR P35869 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL10189623 0.88 ACHE (0.37) CA12CA9ACHEAPPLMNA
SCHEMBL412587 0.87 APP (0.39) CA12CA9ACHEAPPLMNA
SCHEMBL412888 0.84 ALDH1A1 (0.39) CA12CA9ACHEAPPLMNA
SCHEMBL412015 0.81 CA12 (0.43) CA12CA9LMNAALDH1A1TSHR
SCHEMBL406869 0.81 ALDH1A1 (0.36) CA12CA9ACHELMNAALDH1A1
SCHEMBL14619284 0.80 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AAHR
SCHEMBL413860 0.80 ALDH1A1 (0.38) CA12CA9LMNAALDH1A1TP53
SCHEMBL409437 0.78 CASP3 (0.39) CA12CA9ACHEAPPLMNA
SCHEMBL14619528 0.78 CA12 (0.43) CA12CA9LMNAALDH1A1HTT
SCHEMBL412031 0.76 SMN1; SMN2 (0.42) CA12CA9LMNAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2013-12-19 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
EP-1919881-B1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2013-04-10 EP disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 US disclosed
US-20100279410-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-11-04 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 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 (4 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-20070238699-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 CA12 1957/4885CA9 677/4885ACHE 4837/4885
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CA12 1957/4885CA9 677/4885ACHE 4837/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK CA12 2705/4885CA9 865/4885ACHE 4714/4885
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CA12 1957/4885CA9 677/4885ACHE 4837/4885

“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.