SCHEMBL9906406

SCHEMBL9906406

COCCCc1ccc(C(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DAO P14920 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL12321295 0.81 GABRP (0.40) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL16133696 0.79 PIK3CD (0.38) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL6920352 0.77 KCNH2 (0.41) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL9906393 0.77 HCRTR1 (0.41) ALDH1A1RAB9ANPC1HCRTR1HCRTR2
SCHEMBL17403532 0.76 KMT2A (0.39) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL19313511 0.76 TLR7 (0.34) SMN1; SMN2HTTTLR7HRH3DAO
SCHEMBL13895406 0.76 KCNH2 (0.44) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL21536054 0.76 RAB9A (0.36) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL1820441 0.76 GBA1 (0.41) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL5049853 0.75 HRH1 (0.42) ALDH1A1RAB9ANPC1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 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 (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-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 ALDH1A1 999/4885RAB9A 684/4885NPC1 3950/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 ALDH1A1 999/4885RAB9A 684/4885NPC1 3950/4885

“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.