SCHEMBL13690239

SCHEMBL13690239

CCCCOc1cccc2cc(C(=O)OCC)n(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAOA P21397 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
NOD2 Q9HC29 4/20 0.40
NOD1 Q9Y239 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 3/20 0.39

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
SCHEMBL13690302 0.86 MCL1 (0.49) TP53TSHRSMN1; SMN2KDM4EHPGD
SCHEMBL7884857 0.85 KMT2A (0.47) TP53SMN1; SMN2GAAKDM4ECRHBP
SCHEMBL4054227 0.83 SRD5A2 (0.47) SMN1; SMN2MAOAKDM4ECRHBPCRHR2
SCHEMBL14276252 0.80 KMT2A (0.50) TP53SMN1; SMN2GAAKDM4ECRHBP
SCHEMBL14276278 0.80 ACHE (0.50) SMN1; SMN2KDM4ECRHBPCRHR2NPC1
SCHEMBL3160370 0.79 CA12 (0.53) SMN1; SMN2MAOAGAAKDM4ECRHBP
SCHEMBL7884252 0.78 ALDH1A1 (0.48) SMN1; SMN2KDM4ECRHBPCRHR2NPC1
SCHEMBL5125297 0.78 KDM4E (0.45) TSHRSMN1; SMN2GAAKDM4ECRHBP
SCHEMBL3565037 0.78 KDM4E (0.45) TSHRSMN1; SMN2GAAKDM4ECRHBP
SCHEMBL7285824 0.78 NOD2 (0.46) TP53TSHRSMN1; SMN2GAAKDM4E

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-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 US disclosed
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 EP disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 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 (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-20090023701-A1 Cytokine Inhibitors IL1B, TNF, IL1A TP53 3085/4885TSHR 3979/4885SMN1; SMN2 4459/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A TP53 3085/4885TSHR 3979/4885SMN1; SMN2 4459/4885

“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.