SCHEMBL22181550

SCHEMBL22181550

CN(c1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 1/20 0.40
CHKA P35790 4/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
NR3C2 P08235 1/20 0.38
PDK2 Q15119 1/20 0.37
RXRA P19793 4/20 0.37
RXRB P28702 4/20 0.37
RXRG P48443 3/20 0.37
KCNN4 O15554 1/20 0.37
HTT P42858 1/20 0.35
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 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
SCHEMBL21846191 0.89 TACR1 (0.38) CYP2D6MEN1KMT2ANPSR1RAB9A
SCHEMBL22181552 0.87 GABRA1 (0.48) CYP2D6GABRA1GABRB2RXRARXRB
SCHEMBL12774527 0.86 CYP2D6 (0.44) CYP2D6MEN1KMT2ANPSR1RAB9A
SCHEMBL5294134 0.83 MEN1 (0.50) CYP2D6MEN1KMT2ANPSR1RAB9A
SCHEMBL21333943 0.81 CYP2D6 (0.42) CYP2D6MEN1KMT2ANPSR1RAB9A
SCHEMBL14763816 0.81 CYP2D6 (0.42) CYP2D6MEN1KMT2ANPSR1RAB9A
SCHEMBL12258324 0.79 CHKA (0.47) MEN1KMT2ANPSR1CHKANR3C2
SCHEMBL9155671 0.79 ALDH1A1 (0.45) CYP2D6MEN1KMT2ANPSR1RAB9A
SCHEMBL19618139 0.78 HDAC8 (0.44) CYP2D6MEN1KMT2ANPSR1RAB9A
SCHEMBL22312869 0.78 RXRA (0.47) CYP2D6CHKANR3C2PDK2RXRA

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-11877506-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2024-01-16 US disclosed
US-11342506-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-05-24 US disclosed
US-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-15 US disclosed
US-20220037591-A1 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-03 US disclosed
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-02 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 (4 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-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus TYR, AOC2, AOC1 CYP2D6 3268/4885MEN1 2682/4885KMT2A 1636/4885
US-11877506-B2 Polycyclic aromatic compound F11, C1R, RNF31 CYP2D6 834/4885MEN1 549/4885KMT2A 2002/4885
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS TYR, AOC2, AOC1 CYP2D6 3268/4885MEN1 2682/4885KMT2A 1636/4885
US-20220037591-A1 Polycyclic aromatic compound F11, C1R, RNF31 CYP2D6 834/4885MEN1 549/4885KMT2A 2002/4885

“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.