SCHEMBL6503114

SCHEMBL6503114

CCCCc1cc[c]c(-c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 5/20 0.36
ADORA3 P0DMS8 2/20 0.34
SKP2 Q13309 1/20 0.34
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RARB P10826 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL2569468 0.94 KCNH2 (0.38) KCNH2ADORA3CNR2HDAC3HDAC1
SCHEMBL2722607 0.83 HSD11B1 (0.44) ADORA3HPGDRAB9AHSD11B1RARB
SCHEMBL4458305 0.82 NPC1 (0.47) ADORA3SKP2NPC1HPGDHTT
SCHEMBL1368971 0.81 HSD11B1 (0.46) SKP2NPC1HPGDHTTRAB9A
SCHEMBL15066937 0.81 SKP2 (0.44) ADORA3SKP2NPC1HPGDHTT
SCHEMBL4949879 0.80 HSD17B10 (0.47) ADORA3HPGDRAB9AHSD11B1RARB
SCHEMBL10454826 0.79 UCHL3 (0.46) SKP2NPC1HPGDHTTRAB9A
SCHEMBL27699506 0.79 SMN1; SMN2 (0.43) SKP2NPC1HPGDHTTRAB9A
SCHEMBL6493292 0.76 CNR1 (0.40) NPC1RAB9AHSD11B1NPSR1CNR2
SCHEMBL1778547 0.76 SKP2 (0.41) SKP2NPC1HPGDHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 KCNH2 1825/4885SIGMAR1 598/4885ADORA3 2400/4885

“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.