SCHEMBL17734603

SCHEMBL17734603

Cc1cc(N(c2ccccc2)c2ccccc2-c2ccccc2)ccc1-c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
ESR1 P03372 1/20 0.37
PSMB5 P28074 2/20 0.34
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CRHR1 P34998 1/20 0.33
TACR1 P25103 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RPS6KA2 Q15349 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32

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
SCHEMBL17734617 0.95 ESR2 (0.41) ESR2ESR1PSMB5CYP2A6CYP2B6
SCHEMBL17734623 0.95 ESR2 (0.41) ESR2ESR1PSMB5CYP2A6CYP2B6
SCHEMBL17733333 0.94 ESR2 (0.38) ESR2ESR1PSMB5CRHR1TACR1
SCHEMBL17734607 0.94 ESR2 (0.40) ESR2ESR1PSMB5CYP2A6CYP2B6
SCHEMBL17734608 0.92 ESR2 (0.39) ESR2ESR1PSMB5CYP2A6CYP2B6
SCHEMBL17734626 0.91 ESR2 (0.38) ESR2ESR1PSMB5CRHR1MAPT
SCHEMBL17734604 0.88 ESR2 (0.38) ESR2ESR1PSMB5CYP2A6CRHR1
SCHEMBL17734622 0.88 ESR2 (0.38) ESR2ESR1PSMB5CYP2A6CYP2B6
SCHEMBL21168418 0.88 ESR2 (0.44) ESR2ESR1PSMB5CYP2A6CYP2B6
SCHEMBL17733390 0.87 MAPT (0.37) ESR2ESR1PSMB5CRHR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 US disclosed
US-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT ARL1, CCNL2, APOL1 ESR2 9/4885ESR1 15/4885PSMB5 4157/4885

“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.