SCHEMBL3295807

SCHEMBL3295807

CCCC1CCC(c2ccc(Nc3ccc(C(C)C)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 2/20 0.49
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CHEK2 O96017 1/20 0.42
ESR2 Q92731 3/20 0.39
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
POLB P06746 2/20 0.36
CNR2 P34972 1/20 0.36
NFKB1 P19838 1/20 0.36
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
DRD2 P14416 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL13140245 0.80 CYP2C9 (0.46) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL4803893 0.79 CYP2C9 (0.69) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL4803899 0.79 CYP2C9 (0.69) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL3295280 0.79 SMN1; SMN2 (0.48) ALDH1A1LMNAMAPTCHEK2EPHX1
SCHEMBL8771462 0.78 CYP2C9 (0.54) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL8377292 0.78 CYP2C9 (0.50) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL9152165 0.78 CYP2C9 (0.67) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL14207660 0.78 RAB9A (0.46) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL9459440 0.77 CYP2C9 (0.55) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL9459444 0.77 CYP2C9 (0.55) ALDH1A1LMNAMAPTCYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847525-B1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO (JP) 2010-12-15 EP disclosed
US-7737628-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-06-15 US disclosed
EP-1847525-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-10-24 EP disclosed
US-20060194074-A1 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2006-08-31 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 (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-20060194074-A1 Aromatic amine derivative and organic electroluminescence device using the same TYR, DDC, AOC2 ALDH1A1 312/4885LMNA 1163/4885MAPT 610/4885

“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.