SCHEMBL9890112

SCHEMBL9890112

c1ccc2c(c1)oc1cc3c(cc12)oc1c(-n2c4ccccc4c4ccccc42)cc(-n2c4ccccc4c4ccccc42)cc13

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.41
KDM4E B2RXH2 4/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
MAOA P21397 2/20 0.35
TSHR P16473 1/20 0.33
CYP1A2 P05177 2/20 0.33
DYRK1A Q13627 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 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
SCHEMBL9890369 0.96 MAOA (0.40) AHRKDM4EATML3MBTL1MAPT
SCHEMBL13529143 0.94 KDM4E (0.43) AHRKDM4EATML3MBTL1ALDH1A1
SCHEMBL5028256 0.94 KDM4E (0.43) AHRKDM4EATML3MBTL1MAPT
SCHEMBL9890114 0.93 KDM4E (0.38) AHRKDM4EATML3MBTL1MAPT
SCHEMBL24398629 0.91 MAOA (0.44) KDM4EL3MBTL1MAPTALDH1A1MEN1
SCHEMBL9890535 0.90 KDM4E (0.42) AHRKDM4EATML3MBTL1ALDH1A1
SCHEMBL9890370 0.89 KDM4E (0.37) AHRKDM4EATML3MBTL1MAPT
SCHEMBL9890181 0.89 KDM4E (0.39) AHRKDM4EATML3MBTL1MAPT
SCHEMBL5029866 0.89 KDM4E (0.41) AHRKDM4EATML3MBTL1MAPT
SCHEMBL24398750 0.87 CHRNA7 (0.40) KDM4EATML3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-01-21 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 (2 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 AHR 1447/4885KDM4E 990/4885ATM 3103/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 AHR 1447/4885KDM4E 990/4885ATM 3103/4885

“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.