SCHEMBL9906365

SCHEMBL9906365

CC(C)c1cc(C(C)(C)C)nn1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
TRPV1 Q8NER1 1/20 0.37
FPR1 P21462 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
FLT3 P36888 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KCNH2 Q12809 1/20 0.32
HSD11B1 P28845 1/20 0.31
MEN1 O00255 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
SCHEMBL12789846 0.93 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL9906372 0.86 GAA (0.38) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL19954553 0.86 NR3C2 (0.40) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL21024127 0.84 NR3C2 (0.40) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL19954663 0.83 NR3C2 (0.38) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL19105611 0.79 TGFBR1 (0.35) TRPV1KDM4EMEN1KMT2A
SCHEMBL18161172 0.78 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDCCNT1
SCHEMBL25745871 0.78 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL24815018 0.77 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14TRPV1
SCHEMBL18693219 0.77 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14TRPV1

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-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 WO 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 (2 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-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 MAPK13 2398/4885MAPK12 1250/4885MAPK11 817/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 MAPK13 2398/4885MAPK12 1250/4885MAPK11 817/4885

“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.