SCHEMBL10025825

SCHEMBL10025825

C1=CC2=C(CC1)c1c3ccccc3c(c3ccccc13)-c1ccccc1OCc1ccccc1CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 4/20 0.33
HRH1 P35367 3/20 0.33
KCNH2 Q12809 2/20 0.33
HTR2B P41595 2/20 0.33
MEN1 O00255 2/20 0.33
SLC22A1 O15245 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 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
SCHEMBL10025817 0.85 MEN1 (0.35) KMT2AMEN1DRD1
SCHEMBL10025837 0.81 KMT2A (0.49) KMT2AALDH1A1HRH1KCNH2HTR2B
SCHEMBL10025818 0.80 MAOA (0.35) KMT2AALDH1A1HRH1KCNH2HTR2B
SCHEMBL19504385 0.74 MAOA (0.42) KMT2AALDH1A1HRH1KCNH2HTR2B
SCHEMBL28135189 0.69 SRD5A1 (0.35) MAOAMAOB
SCHEMBL10025839 0.65 MAOA (0.39) KMT2AALDH1A1LMNACYP1A2KDM4E
SCHEMBL19888558 0.64 KDM4E (0.34) TSHRKDM4EMAPK1
SCHEMBL10025838 0.64 ITGB2 (0.46) KMT2AMEN1DRD1LMNATSHR
SCHEMBL10025821 0.63 ALDH1A1 (0.34) KMT2AALDH1A1HRH1KCNH2HTR2B
SCHEMBL132696 0.62 MAOB (0.60) KMT2AALDH1A1HRH1KCNH2HTR2B

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
EP-1859005-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-04-27 EP disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 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-20080171225-A1 Novel Materials For Organic Electroluminescent Devices OR10J3, EML4, TYR KMT2A 2174/4885ALDH1A1 1325/4885HRH1 3519/4885

“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.