SCHEMBL17829037

SCHEMBL17829037

c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4cccc(-c5nc(-c6ccc7cc(-n8c9ccccc9c9c(-c%10cccc%11c%10c%10ccccc%10n%11-c%10ccccc%10)cccc98)ccc7c6)nc6c5ccc5ccccc56)c4)cccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL17829040 0.96 KDM4E (0.35) ALDH1A1MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL17828848 0.94 ATM (0.33) ALDH1A1MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL17828847 0.94 ATM (0.35) ALDH1A1MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL17828819 0.93 ALDH1A1 (0.35) ALDH1A1MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL17828851 0.91 ALDH1A1 (0.37) ALDH1A1MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL17828755 0.91 CYP1A2 (0.33) MAPTCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL17828826 0.90 CYP1A1 (0.38) ALDH1A1MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL17828823 0.90 ATM (0.34) ALDH1A1MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL17828932 0.89 ATM (0.37) CYP1A1CYP1A2CYP1B1KDM4EATM
SCHEMBL17828850 0.89 CYP1A1 (0.37) ALDH1A1MAPTCYP1A1CYP1A2CYP1B1

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 ALDH1A1 248/4885MAPT 2279/4885CYP1A1 829/4885

“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.