SCHEMBL9917134

SCHEMBL9917134

Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cccc4c3oc3ccccc34)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
GGPS1 O95749 1/20 0.40
PRKDC P78527 4/20 0.40
PDK2 Q15119 4/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
MAOB P27338 3/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MAOA P21397 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PGR P06401 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL21742672 1.00 ALOX5 (0.52) ALOX5GGPS1PRKDCPDK2PTGES2
SCHEMBL12996570 0.92 ALOX5 (0.59) ALOX5GGPS1PRKDCPDK2PTGES2
SCHEMBL17614164 0.92 ALOX5 (0.59) ALOX5GGPS1PRKDCPDK2PTGES2
SCHEMBL22146709 0.91 ALOX5 (0.47) ALOX5GGPS1PRKDCPDK2PTGES2
SCHEMBL9917146 0.89 ALOX5 (0.53) ALOX5GGPS1PRKDCPDK2PTGES2
SCHEMBL18086164 0.89 ALOX5 (0.56) ALOX5GGPS1PRKDCPDK2PTGES2
SCHEMBL22146692 0.89 ALOX5 (0.45) ALOX5GGPS1PRKDCPDK2PTGES2
SCHEMBL21742872 0.87 ALOX5 (0.49) ALOX5GGPS1PRKDCPDK2PTGES2
SCHEMBL9917235 0.87 ALOX5 (0.51) ALOX5GGPS1PRKDCPDK2PTGES2
SCHEMBL10057966 0.86 ALOX5 (0.53) ALOX5GGPS1PRKDCPTGES2PRMT5

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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 US disclosed
US-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-06-08 US disclosed
US-9614160-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 US disclosed
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-03-03 US disclosed
US-9260390-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2016-02-16 US disclosed
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-06-14 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 (4 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-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL ALOX5 1894/4885GGPS1 4829/4885PRKDC 4598/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALOX5 1407/4885GGPS1 3849/4885PRKDC 4060/4885
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR ALOX5 2532/4885GGPS1 2508/4885PRKDC 3014/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALOX5 1407/4885GGPS1 3849/4885PRKDC 4060/4885

“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.