SCHEMBL13477889

SCHEMBL13477889

Cc1sc2ccccc2c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
TNKS O95271 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
PMM2 O15305 1/20 0.41
MPI P34949 1/20 0.41
PHOSPHO1 Q8TCT1 1/20 0.41
PTPN1 P18031 2/20 0.38
GPR3 P46089 1/20 0.38
PLA2G10 O15496 1/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 3/20 0.37
HSP90AA1 P07900 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KIF11 P52732 1/20 0.37
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL12624661 0.82 GPR3 (0.46) PTPN1GPR3PLA2G10ALDH1A1HSP90AA1
SCHEMBL10072273 0.79 TNKS (0.50) TNFNOD1TNKSTNKS2PMM2
SCHEMBL5955995 0.76 KIF11 (0.46) TNFNOD1TNKSTNKS2PMM2
SCHEMBL12115267 0.75 TNF (0.43) TNFNOD1TNKSTNKS2PMM2
SCHEMBL13477892 0.73 IKBKB (0.42) GPR3PLA2G10ALDH1A1RAB9ANPC1
SCHEMBL19735272 0.73 GPR3 (0.47) TNFNOD1TNKSTNKS2PMM2
SCHEMBL18121002 0.73 RAB9A (0.47) TNFNOD1TNKSTNKS2PMM2
SCHEMBL23555889 0.73 LIMK1 (0.39) PTPN1PLA2G10ALDH1A1RAB9AHPGD
SCHEMBL9890850 0.73 ALOX5 (0.48) TNFNOD1TNKSTNKS2PMM2
SCHEMBL9890855 0.73 ALOX5 (0.51) TNFNOD1TNKSTNKS2PMM2

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-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 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-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 TNF 4799/4885NOD1 805/4885TNKS 2736/4885

“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.