SCHEMBL4400536

SCHEMBL4400536

Oc1ccc2c(c1)C(c1ccccc1)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX5 P09917 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PSMB5 P28074 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HTR2B P41595 1/20 0.39
ESR2 Q92731 3/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL29242486 0.94 DYRK1A (0.54) DYRK1AMEN1KMT2AKDM4EALOX5
SCHEMBL30901161 0.94 DYRK1A (0.54) DYRK1AMEN1KMT2AKDM4EALOX5
SCHEMBL918436 0.82 KMT2A (0.61) DYRK1AMEN1KMT2AKDM4EMAPK1
SCHEMBL70993 0.82 LMNA (0.54) DYRK1ACDK5CYP19A1MAOAMAOB
Benzene SCHEMBL27791155 0.82 LMNA (0.54) DYRK1ACDK5CYP19A1MAOAMAOB
SCHEMBL25171318 0.82 LMNA (0.54) DYRK1ACDK5CYP19A1MAOAMAOB
SCHEMBL29370508 0.82 LMNA (0.54) DYRK1ACDK5CYP19A1MAOAMAOB
SCHEMBL29496707 0.81 MEN1 (0.47) MEN1KMT2AKDM4EALOX5ESR2
SCHEMBL29601950 0.79 CDK5 (0.54) DYRK1AMEN1KMT2AKDM4ECDK5
SCHEMBL27892789 0.79 KMT2A (0.47) MEN1KMT2AKDM4EHTR2BALDH1A1

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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 DYRK1A 4778/4885MEN1 979/4885KMT2A 3032/4885

“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.