SCHEMBL12014580

SCHEMBL12014580

c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccncc5)c5ccccc45)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP11B1 P15538 1/20 0.44
HPRT1 P00492 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP1A1 P04798 1/20 0.43
POLB P06746 1/20 0.43
CFTR P13569 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MAPK9 P45984 3/20 0.42
MAPK10 P53779 3/20 0.42
MAPK8 P45983 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL12014564 0.98 ALDH1A1 (0.45) ALDH1A1MAPTHPGDKDM4ECYP11B1
SCHEMBL12014543 0.93 MAPK9 (0.46) ALDH1A1MAPTHPGDKDM4ECYP11B1
SCHEMBL12014544 0.92 PIK3CA (0.47) ALDH1A1MAPTHPGDKDM4ECYP11B1
SCHEMBL12014584 0.92 PIK3CA (0.47) ALDH1A1MAPTHPGDKDM4ECYP11B1
SCHEMBL12014560 0.87 MAPT (0.43) ALDH1A1MAPTHPGDKDM4ECYP11B1
SCHEMBL12014541 0.86 PIK3CA (0.41) ALDH1A1MAPTHPGDKDM4ECYP11B1
SCHEMBL12014509 0.85 MAPT (0.40) ALDH1A1MAPTHPGDKDM4ECYP11B1
SCHEMBL13658716 0.85 KDM4E (0.50) ALDH1A1MAPTHPGDKDM4ECYP11B1
SCHEMBL12014563 0.84 CYP1A2 (0.42) ALDH1A1MAPTHPGDKDM4ECYP11B1
SCHEMBL12014568 0.84 HPRT1 (0.40) ALDH1A1MAPTHPGDCYP11B1HPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
WO-2011054442-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-12 WO 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-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, DDT, ERCC1 ALDH1A1 261/4885MAPT 1295/4885HPGD 1353/4885

“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.