SCHEMBL13523402

SCHEMBL13523402

CC(C)(C)c1ccc(-c2cc(I)cc(-c3ccc(C(C)(C)C)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.42
DHODH Q02127 1/20 0.41
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 2/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
XDH P47989 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
APP P05067 1/20 0.39
ASIC1 P78348 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL23319641 0.88 KIF11 (0.61) KIF11NPC1RAB9ATSHRDHODH
SCHEMBL4322427 0.88 KIF11 (0.61) KIF11NPC1RAB9ATSHRDHODH
SCHEMBL10304854 0.83 KIF11 (0.56) KIF11NPC1RAB9ATSHRLMNA
SCHEMBL27375500 0.80 NPC1 (0.62) KIF11NPC1RAB9ATSHRDHODH
SCHEMBL20100124 0.80 NPC1 (0.57) KIF11NPC1RAB9ATSHRDHODH
SCHEMBL26915 0.80 KIF11 (0.70) KIF11NPC1RAB9ATSHRLMNA
SCHEMBL3423876 0.80 KIF11 (0.70) KIF11NPC1RAB9ATSHRLMNA
SCHEMBL26771321 0.79 DHODH (0.54) KIF11TSHRDHODHRXRARXRB
SCHEMBL28102065 0.79 DHODH (0.54) KIF11TSHRDHODHRXRARXRB
SCHEMBL20100122 0.78 NPC1 (0.60) KIF11NPC1RAB9ATSHRDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4016659-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2022-06-22 EP disclosed
US-20100001635-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-01-07 US disclosed
EP-2108690-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 EP 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-20100001635-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, ILF2, L1CAM KIF11 1490/4885NPC1 2584/4885RAB9A 3414/4885

“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.