SCHEMBL9890302

SCHEMBL9890302

c1cc(-c2cccc3c2oc2cc4c(cc23)oc2c(-n3c5ccccc5c5ccccc53)cccc24)c2oc3cc4c(cc3c2c1)oc1c(-n2c3ccccc3c3ccccc32)cccc14

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
ALDH1A1 P00352 1/20 0.37
PRKDC P78527 5/20 0.37
ATM Q13315 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
GGPS1 O95749 1/20 0.33
DUSP3 P51452 1/20 0.33
DYRK1A Q13627 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 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
SCHEMBL2604856 0.94 ALDH1A1 (0.41) ALOX5ALDH1A1PRKDCATMKDM4E
SCHEMBL9890263 0.93 ALOX5 (0.38) ALOX5ALDH1A1PRKDCKDM4EPIK3CD
SCHEMBL9890305 0.93 ALOX5 (0.42) ALOX5ALDH1A1PRKDCATMKDM4E
SCHEMBL9890303 0.93 ALOX5 (0.45) ALOX5ALDH1A1PRKDCATMKDM4E
SCHEMBL9890304 0.92 ALOX5 (0.44) ALOX5ALDH1A1PRKDCKDM4EPIK3CD
SCHEMBL9890267 0.92 ALOX5 (0.41) ALOX5ALDH1A1PRKDCATMKDM4E
SCHEMBL9890271 0.91 ALOX5 (0.36) ALOX5ALDH1A1PRKDCL3MBTL1PIK3CD
SCHEMBL9890270 0.89 ALOX5 (0.42) ALOX5ALDH1A1PRKDCKDM4EPIK3CD
SCHEMBL9890274 0.88 ALOX5 (0.39) ALOX5ALDH1A1PRKDCATMKDM4E
SCHEMBL9890269 0.88 PRKDC (0.41) ALOX5ALDH1A1PRKDCKDM4EPIK3CD

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 6 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

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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 ALOX5 2756/4885ALDH1A1 1594/4885PRKDC 2162/4885

“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.