SCHEMBL3141978

SCHEMBL3141978

COc1ccc2c(c1)CCC1=C2CCc2cc(OC)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
BCL2 P10415 1/20 0.53
CYP19A1 P11511 5/20 0.51
CYP11B2 P19099 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
MIF P14174 3/20 0.50
GLA P06280 2/20 0.50
ADORA1 P30542 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
METAP1 P53582 1/20 0.49
CYP26A1 O43174 2/20 0.48

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
SCHEMBL17108416 0.89 MPO (0.59) MPOCYP1A2CYP2D6BCL2CYP19A1
SCHEMBL13133328 0.82 KDM4E (0.44) MPOCYP1A2CYP2D6BCL2CYP19A1
SCHEMBL16313341 0.82 KDM4E (0.54) MPOCYP1A2CYP2D6BCL2CYP19A1
SCHEMBL11786798 0.81 METAP1 (0.48) CYP1A2CYP2D6CYP19A1KDM4EMAPT
SCHEMBL11471048 0.80 METAP1 (0.59) MPOCYP1A2CYP2D6BCL2CYP19A1
SCHEMBL15869785 0.80 MPO (0.51) MPOCYP1A2CYP2D6BCL2CYP19A1
SCHEMBL268592 0.80 KDM4E (0.56) MPOCYP1A2CYP2D6CYP19A1KDM4E
SCHEMBL8174050 0.79 SRD5A1 (0.63) CYP1A2CYP19A1CYP11B2MAPTALDH1A1
SCHEMBL23142694 0.79 MIF (0.54) MPOCYP1A2CYP2D6CYP19A1KDM4E
SCHEMBL7284296 0.79 ALDH1A1 (0.55) MPOCYP1A2CYP2D6BCL2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642380-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-01-05 US disclosed
CN-101395127-A Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2009-03-25 CN disclosed
US-20070236137-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-10-11 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-20070236137-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, MAOA, MAOB MPO 615/4885CYP1A2 289/4885CYP2D6 675/4885

“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.