SCHEMBL12368396

SCHEMBL12368396

c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccc(-c5ccc6c7cccc8cccc(c9cccc5c96)c87)cc4)c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)cc3)c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.40
ACHE P22303 3/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
AHR P35869 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
THRB P10828 1/20 0.39
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 3/20 0.31
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL12128625 0.92 ALDH1A1 (0.43) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL14099800 0.90 HSD17B1 (0.32) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL13418419 0.90 CYP1A2 (0.42) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL12128616 0.89 CYP1A2 (0.43) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL19953861 0.88 CYP1A2 (0.39) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL4021104 0.87 ALDH1A1 (0.38) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL18174838 0.87 CYP1A2 (0.40) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL18174845 0.86 CYP1A2 (0.39) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL18174848 0.86 CYP1A2 (0.41) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL12617855 0.85 CYP1A2 (0.37) CYP1A2ACHEERBB2FYNMAOA

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-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-08-11 US disclosed
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-08-11 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-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME ELP1, EED, ESR1 CYP1A2 1772/4885ACHE 3192/4885ERBB2 1285/4885

“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.