SCHEMBL14726990

SCHEMBL14726990

CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3cc(Cl)c(Cl)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
KIF11 P52732 5/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
METAP2 P50579 1/20 0.37
RORB Q92753 1/20 0.37
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TNF P01375 1/20 0.35
NOD1 Q9Y239 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
SCHEMBL5955995 0.87 KIF11 (0.46) GPR84KIF11TNKSTNKS2NPC1
SCHEMBL6827027 0.86 DPP4 (0.40) GPR84KIF11TNKSTNKS2METAP2
SCHEMBL14726929 0.86 RXRB (0.36) HSD11B1GPR84KIF11METAP2CNR1
SCHEMBL12415332 0.85 TNKS (0.40) HSD11B1GPR84KIF11TNKSTNKS2
SCHEMBL29861950 0.84 GPR84 (0.47) GPR84KIF11TNKSTNKS2NPC1
SCHEMBL1098425 0.84 GPR84 (0.47) GPR84KIF11TNKSTNKS2NPC1
SCHEMBL23626276 0.83 HSD11B1 (0.41) HSD11B1GPR84KIF11TNKSTNKS2
SCHEMBL22978415 0.83 TNKS (0.46) GPR84KIF11TNKSTNKS2NPC1
SCHEMBL30662421 0.83 TNKS (0.46) GPR84KIF11TNKSTNKS2NPC1
SCHEMBL2700619 0.80 CNR1 (0.43) GPR84KIF11NPC1RAB9ASMN1; SMN2

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-8859112-B2 Organic compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-10-14 US disclosed
US-8859112-B2 Organic compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-10-14 US disclosed
US-20130049581-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-28 US disclosed
US-20130049581-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-28 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-20130049581-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME LEF1, CYP1A1, TCF7L2 HSD11B1 1115/4885GPR84 1639/4885AKR1C2 2143/4885

“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.