SCHEMBL3591276

SCHEMBL3591276

CC(C)(C)c1ccc(-c2ccc[c]n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
NR2F2 P24468 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 1/20 0.35
ADORA2A P29274 1/20 0.35
HTR1D P28221 1/20 0.35
ADRA1A P35348 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL1436055 0.81 KIF11 (0.45) KIF11TRPV1KMT2AMEN1KDM4E
SCHEMBL5541082 0.79 SREBF2 (0.41) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL1316597 0.76 RAB9A (0.48) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL11297134 0.75 GRM2 (0.37) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL12614991 0.75 CYP1A2 (0.39) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL6544558 0.75 MAPT (0.54) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL1435694 0.74 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL3625369 0.74 RAB9A (0.52) KIF11TNFNOD1TRPV1NPC1
SCHEMBL6543528 0.73 CA2 (0.50) ALDH1A1NISCHSMN1; SMN2TYR
SCHEMBL1201737 0.72 LMNA (0.42) NPC1RAB9AKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 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 (1 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-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 KIF11 4529/4885TNF 2566/4885NOD1 1894/4885

“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.