SCHEMBL5396983

SCHEMBL5396983

CC(C)(C)c1ccc(Nc2cc(Nc3ccc(C(C)(C)C)cc3)cc(Nc3ccc(C(C)(C)C)cc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.44
TYR P14679 1/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KIF11 P52732 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL2392625 0.92 TSHR (0.52) TSHRLMNATYRAKR1C3AKR1C2
SCHEMBL49741 0.92 TSHR (0.52) TSHRLMNATYRAKR1C3AKR1C2
SCHEMBL23116430 0.91 TSHR (0.50) TSHRLMNATYRAKR1C3AKR1C2
SCHEMBL24137667 0.91 TSHR (0.42) TSHRLMNATYRAKR1C3AKR1C2
SCHEMBL22050052 0.89 MAPT (0.56) TSHRLMNAAKR1C3AKR1C2MEN1
SCHEMBL28792759 0.87 TSHR (0.50) TSHRAKR1C3AKR1C2MEN1NPC1
SCHEMBL31162467 0.85 GABRA1 (0.44) TSHRAKR1C3AKR1C2MEN1NPC1
SCHEMBL22432523 0.85 TSHR (0.46) TSHRLMNATYRAKR1C3AKR1C2
SCHEMBL13321302 0.85 KIF11 (0.57) TSHRLMNATYRMEN1NPC1
SCHEMBL2957181 0.85 KIF11 (0.57) TSHRLMNATYRMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140877-A1 Novel Compound and Organic Light Emitting Device Comprising the Same LG CHEM, LTD. (KR) 2023-05-11 US disclosed
US-20230140877-A1 Novel Compound and Organic Light Emitting Device Comprising the Same LG CHEM, LTD. (KR) 2023-05-11 US disclosed
US-7196224-B2 1,3,5-tris(arylamino)benzenes BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-27 US disclosed
US-20050090692-A1 Novel 1,3,5-tris(arylamino)benzene BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-28 US disclosed
EP-1496044-A1 NOVEL 1,3,5-TRIS(ARYLAMINO)BENZENE Bando Chemical Industries, Ltd. (JP) 2005-01-12 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 (2 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-20050090692-A1 Novel 1,3,5-tris(arylamino)benzene AHR, MYB, NAP1L4 TSHR 3436/4885LMNA 3490/4885TYR 16/4885
US-20230140877-A1 Novel Compound and Organic Light Emitting Device Comprising the Same CRY2, CRY1, GLI1 TSHR 4136/4885LMNA 4222/4885TYR 20/4885

“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.