SCHEMBL10110129

SCHEMBL10110129

CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccccc6c5)ccc3-4)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
GGPS1 O95749 1/20 0.36
PRKDC P78527 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.34
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL10110316 0.99 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL10110137 0.97 ALOX5 (0.40) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL10110364 0.97 ALOX5 (0.39) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL10109937 0.97 ALOX5 (0.45) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL10110320 0.96 ALOX5 (0.40) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL9916589 0.96 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL10110371 0.95 ALOX5 (0.38) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL9916652 0.95 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL10110165 0.95 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2CHRNA1
SCHEMBL10109938 0.95 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9087997-B2 Aromatic amine derivative and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2015-07-21 US disclosed
US-9087997-B2 Aromatic amine derivative and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2015-07-21 US disclosed
US-8703304-B2 Aromatic amine derivative and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-04-22 US disclosed
US-8703304-B2 Aromatic amine derivative and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-04-22 US disclosed
US-20140061630-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-03-06 US disclosed
US-20140061630-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-03-06 US disclosed
US-20120161119-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-28 US disclosed
US-20120161119-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-28 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-20120161119-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE TYR, TERF2, SAT1 ALOX5 3505/4885GGPS1 2974/4885PRKDC 2266/4885

“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.