SCHEMBL12339072

SCHEMBL12339072

CSc1ccc(-c2conc2-c2cc(C)c3c(c2)OCO3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.34
MAPT P10636 4/20 0.34
TP53 P04637 1/20 0.34
PTGS2 P35354 5/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CFTR P13569 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EDNRA P25101 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL12339077 0.86 UGT1A1 (0.42) GAAMAPTPTGS2MAPK13MAPK12
SCHEMBL1167898 0.85 ALDH1A1 (0.42) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL12339074 0.84 PTGS2 (0.32) PTGS2RAB9A
SCHEMBL10189274 0.81 CFTR (0.36) GAAMAPTTP53PTGS2CFTR
SCHEMBL12339075 0.80 PRKAB2 (0.33) PTGS2
SCHEMBL12339076 0.78 PTGS2 (0.32) MAPTPTGS2MAPK13MAPK12MAPK11
SCHEMBL12339064 0.78 CYP2A6 (0.40)
SCHEMBL12339073 0.77 NPC1 (0.32) RAB9A
SCHEMBL12339060 0.77 ALDH1A1 (0.35) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL10189775 0.76 MAPT (0.34) GAAMAPTTP53PTGS2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
US-8269017-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2012-09-18 US disclosed
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-03-10 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 (3 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-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 GAA 597/4885MAPT 95/4885TP53 25/4885
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 GAA 597/4885MAPT 95/4885TP53 25/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 GAA 597/4885MAPT 95/4885TP53 25/4885

“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.