SCHEMBL2543833

SCHEMBL2543833

Cc1cc(C)cc(N(c2cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c2)c2cc3c4ccccc4c(N(c4cc(C)cc(C)c4)c4cc(C(C)(C)c5ccccc5)cc(C(C)(C)c5ccccc5)c4)cc3c3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2540709 0.87 KIF11 (0.31)
SCHEMBL2542244 0.86 ESR1 (0.36) ESR1ESR2
SCHEMBL12120972 0.84 TACR1 (0.32)
SCHEMBL2542242 0.84 TACR1 (0.32)
SCHEMBL2537214 0.83 CYP1A2 (0.36)
SCHEMBL10060954 0.83 ESR1 (0.39) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL2542680 0.82 TACR1 (0.33)
SCHEMBL12120997 0.79 CYP1A2 (0.37) ALDH1A1CYP3A4
SCHEMBL2542682 0.79 KIF11 (0.35) ALDH1A1
SCHEMBL15435820 0.77 ALDH1A1 (0.33) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058478-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-15 US disclosed
US-8058478-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-15 US disclosed
US-8044390-B2 Material for organic electroluminescent device, organic electroluminescent device, and organic electroluminescent display IDEMITSU KOSAN CO., LTD. (JP) 2011-10-25 US disclosed
US-20110034733-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034733-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-02-10 US disclosed
US-7816017-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-10-19 US disclosed
US-7816017-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-10-19 US disclosed
US-20100181555-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY IDEMITSU KOSAN CO., LTD. (JP) 2010-07-22 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 (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-20110034733-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, DDC, EML4 CNR1 4442/4885CNR2 4026/4885ESR1 126/4885
US-20100181555-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY AFF4, CLIC4, L1CAM CNR1 1715/4885CNR2 1871/4885ESR1 108/4885

“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.