SCHEMBL12338598

SCHEMBL12338598

COc1ccc(-c2cnoc2-c2ccc(C)c(C)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDO2 P48775 1/20 0.40
PTGS2 P35354 2/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 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
SCHEMBL1167466 0.84 KMT2A (0.53) KMT2AMEN1CYP11B1CYP11B2CYP19A1
SCHEMBL12338616 0.80 MEN1 (0.55) KMT2AMEN1CYP11B1CYP11B2CYP19A1
SCHEMBL12338559 0.79 MEN1 (0.54) KMT2AMEN1CYP11B1CYP11B2CYP19A1
SCHEMBL761932 0.79 KMT2A (0.48) KMT2AMEN1CYP11B1CYP11B2CYP19A1
SCHEMBL30203914 0.77 KMT2A (0.62) KMT2AMEN1GFERMAPT
SCHEMBL22672253 0.77 KMT2A (0.62) KMT2AMEN1GFERMAPT
SCHEMBL1168174 0.77 MEN1 (0.61) KMT2AMEN1TDO2PTGS2ABL1
SCHEMBL1167678 0.76 MEN1 (0.57) KMT2AMEN1TDO2TUBB4ATUBB
SCHEMBL1218666 0.76 MEN1 (0.53) KMT2AMEN1TDO2TUBB4ATUBB
SCHEMBL28450068 0.75 MEN1 (0.56) KMT2AMEN1CYP11B1CYP11B2CYP2C9

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 KMT2A 2808/4885MEN1 1571/4885CYP11B1 904/4885
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 KMT2A 2808/4885MEN1 1571/4885CYP11B1 904/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 KMT2A 2808/4885MEN1 1571/4885CYP11B1 904/4885

“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.