SCHEMBL16433751

SCHEMBL16433751

c1ccc(-c2cccc3c(-c4ccc5ccc6cccnc6c5n4)c4cccc(-c5ccccc5)c4cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.44
CCR1 P32246 5/20 0.43
CCR8 P51685 5/20 0.43
CCR5 P51681 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL17899278 0.97 TOP1 (0.43) TOP1CCR1CCR8CCR5LMNA
SCHEMBL17899272 0.90 CCR1 (0.41) CCR1CCR8CCR5LMNAKDM4E
SCHEMBL17899277 0.89 CCR1 (0.46) CCR1CCR8CCR5LMNAKDM4E
SCHEMBL16433752 0.87 CCR1 (0.50) TOP1CCR1CCR8CCR5LMNA
SCHEMBL13706308 0.86 TOP1 (0.44) TOP1CCR1CCR8CCR5LMNA
SCHEMBL2448839 0.85 CCR1 (0.59) CCR1CCR8CCR5LMNAKDM4E
SCHEMBL29444813 0.85 CCR1 (0.59) CCR1CCR8CCR5LMNAKDM4E
SCHEMBL13706352 0.85 TOP1 (0.43) TOP1CCR1CCR8CCR5LMNA
SCHEMBL20456936 0.85 CCR1 (0.47) TOP1CCR1CCR8CCR5LMNA
SCHEMBL1103060 0.85 CCR1 (0.47) TOP1CCR1CCR8CCR5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10573823-B2 Organic electroluminescent device JOLED INC (JP) 2020-02-25 US disclosed
US-9978975-B2 Organic electroluminescence device JOLED INC (JP) 2018-05-22 US disclosed
US-9978975-B2 Organic electroluminescence device JOLED INC (JP) 2018-05-22 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20150303380-A1 ORGANIC ELECTROLUMINESCENT DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-10-22 US disclosed
US-20150303380-A1 ORGANIC ELECTROLUMINESCENT DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-10-22 US disclosed
US-20150069351-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-03-12 US disclosed
EP-2833429-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Sony Corporation (JP) 2015-02-04 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-10573823-B2 Organic electroluminescent device L1CAM, NES, EML4 TOP1 3667/4885CCR1 2156/4885CCR8 2584/4885

“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.