SCHEMBL17829067

SCHEMBL17829067

c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n5)cc4)ccc2n3-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 2/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
AVPR1A P37288 1/20 0.33
NR3C1 P04150 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL17829082 0.94 CYP1A1 (0.39) CYP1A2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL17829085 0.94 CYP1A1 (0.40) CYP1A2CYP1A1CYP1B1PIK3CDPIK3CA
SCHEMBL17829104 0.94 KDM4E (0.38) CYP1A2CYP1A1CYP1B1PIK3CDPIK3CA
SCHEMBL17829004 0.94 CYP1A1 (0.38) CYP1A2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL17828993 0.94 CYP1A1 (0.38) CYP1A2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL17828722 0.93 NR3C1 (0.39) CYP1A2CYP1A1CYP1B1PIK3CDPIK3CA
SCHEMBL17828865 0.92 ATM (0.40) CYP1A2CYP1A1CYP1B1PIK3CDPIK3CA
SCHEMBL17828999 0.92 ATM (0.38) CYP1A2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL17828868 0.91 ATM (0.39) CYP1A2CYP1A1CYP1B1PIK3CDPIK3CA
SCHEMBL18026408 0.91 ATM (0.39) CYP1A2CYP1A1CYP1B1PIK3CDPIK3CA

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
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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 (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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 CYP1A2 1870/4885CYP1A1 829/4885CYP1B1 993/4885

“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.