SCHEMBL4852858

SCHEMBL4852858

Cc1[c]c(C)cc(-c2cc(C)[c]c(C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL3815899 0.87 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL698699 0.83 ACHE (0.42) TDP1CA1CA2
SCHEMBL840279 0.83 POLB (0.35)
SCHEMBL698135 0.83 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL4313465 0.81
SCHEMBL15140191 0.81 CA1 (0.70) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL698326 0.79 ACHE (0.42) ALDH1A1
SCHEMBL27919047 0.79 AHR (0.50) ALDH1A1CYP3A4
SCHEMBL18896 0.77
SCHEMBL699058 0.77 ACHE (0.48) ALDH1A1CYP3A4TSHR

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-7388100-B2 Tertiary amine compounds NISHIO TETSUYA 2008-06-17 US disclosed
US-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same NISHIO TETSUYA 2006-07-06 US disclosed
US-6936189-B2 Cyclic tertiary amine compound and organic electroluminescent device containing the compound CHISSO CORPORATION (JP) 2005-08-30 US disclosed
US-6761981-B2 HIGH EFFICIENCY AND LONG SERVICE LIFE; MARCROCYCLIC RINGS COMPRISING TERTIARY AMINES CONTAINED IN A HOLE TRANSPORT LAYER AND/OR LUMINESCENT LAYER OF AN ELECTROLUMINESCENT DEVICE SUCH AS FLAT SCREEN DISPLAY CHISSO CORPORATION (JP) 2004-07-13 US disclosed
US-20020058155-A1 Cyclic tertiary amine compound and organic electroluminescent device containing the compound CHISSO CORPORATION (JP) 2002-05-16 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-20020058155-A1 Cyclic tertiary amine compound and organic electroluminescent device containing the compound AOC2, AOC3, CCNL2 ALDH1A1 1127/4885TP53 4808/4885CYP3A4 3400/4885
US-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same PIEZO1, YES1, SAT1 ALDH1A1 592/4885TP53 3010/4885CYP3A4 3797/4885

“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.