SCHEMBL20182011

SCHEMBL20182011

O=P(O)(O)c1cccc2ccc3cccnc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MMP2 P08253 2/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 2/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MMP8 P22894 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL20182042 0.83 LMNA (0.48) KDM4EMMP2TSHRHTTCCR1
SCHEMBL17773855 0.79 CCR1 (0.54) KDM4EMMP2TSHRHTTCCR1
Phenanthroline SCHEMBL28012671 0.78 LMNA (0.73) KDM4EMMP2TSHRHTTCCR1
SCHEMBL10343206 0.78 ALDH1A1 (0.41) TSHRMAPTCYP3A4ALDH1A1L3MBTL1
SCHEMBL20182015 0.76 KMT2A (0.42) KDM4EMMP2TSHRHTTCCR1
SCHEMBL5675770 0.75 LMNA (0.75) KDM4EMMP2TSHRHTTCCR1
SCHEMBL31807285 0.75 LMNA (0.75) KDM4EMMP2TSHRHTTCCR1
SCHEMBL14020745 0.74 LMNA (0.54) KDM4EMMP2TSHRHTTCCR1
SCHEMBL319465 0.73 TSHR (0.70) KDM4EMMP2TSHRHTTCCR1
Phenanthroline SCHEMBL29990487 0.72 LMNA (0.57) KDM4EMMP2TSHRHTTCCR1

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
EP-3541890-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-28 EP disclosed
US-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-11-21 US disclosed
WO-2018091435-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-24 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-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM KDM4E 3088/4885MMP2 4485/4885TSHR 4792/4885

“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.