SCHEMBL4585848

SCHEMBL4585848

C=C(c1ccc(N(c2ccc(C(=C)c3ccccc3C(C)(C)C)cc2)c2ccc(C(=C)c3ccccc3C(C)(C)C)cc2)cc1)c1ccccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.36
CA2 P00918 1/20 0.34
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL6547685 0.84 TDP1 (0.47) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL4585193 0.77 KMT2A (0.47) MEN1KMT2AALDH1A1TSHRRXRA
SCHEMBL4585877 0.74 KMT2A (0.43) MEN1KMT2ATDP1ALDH1A1
SCHEMBL2828217 0.74 MEN1 (0.43) MEN1KMT2ATDP1ALDH1A1CA2
SCHEMBL4587294 0.73 MEN1 (0.43) MEN1KMT2AGRM2
SCHEMBL11703047 0.72 MEN1 (0.63) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL10601315 0.72 GABRA1 (0.47) TDP1ALDH1A1TSHRATMCA2
SCHEMBL10599697 0.71 MEN1 (0.37) MEN1KMT2ATDP1ALDH1A1ATM
SCHEMBL186055 0.70 MEN1 (0.67) MEN1KMT2ATDP1ALDH1A1ATM
SCHEMBL713859 0.70 ALDH1A1 (0.48) MEN1KMT2ATDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 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-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM MEN1 3327/4885KMT2A 1866/4885TDP1 3044/4885

“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.