SCHEMBL12460704

SCHEMBL12460704

c1ccc(-c2nc(-c3ccccc3)nc(N(c3ccc(-c4ccc(CCCCCCc5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC1 Q13547 1/20 0.40
RARB P10826 5/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
RARA P10276 1/20 0.38
MTOR P42345 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOB P27338 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL12460067 0.87 ALDH1A1 (0.45) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL14208887 0.87 ALDH1A1 (0.45) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL10247277 0.83 ALDH1A1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL9987332 0.83 L3MBTL1 (0.47) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL12460943 0.83 ALDH1A1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL23059656 0.83 HDAC2 (0.51) HSD11B1HDAC2HDAC1RARBMEN1
SCHEMBL19269342 0.80 ALDH1A1 (0.52) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL23308385 0.80 ALDH1A1 (0.52) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL24255835 0.80 ALDH1A1 (0.52) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL14079818 0.80 ALDH1A1 (0.52) MEN1ALDH1A1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9496504-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-9496504-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-20120305851-A1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2012-12-06 US disclosed
US-20120305851-A1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2012-12-06 US disclosed
WO-2011085781-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-07-21 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-20120305851-A1 Materials for Organic Electroluminescent Devices L1CAM, EFNA1, EPCAM HSD11B1 1551/4885HDAC2 3972/4885HDAC1 3387/4885

“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.