SCHEMBL13487173

SCHEMBL13487173

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccc(-c5cccc6ccccc56)cc34)cccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.32
CCR8 P51685 4/20 0.32
CCR5 P51681 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
BACE1 P56817 1/20 0.32
HTR2C P28335 3/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
ACVR1 Q04771 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL13487274 0.92 CYP17A1 (0.33) CCR1CCR8CCR5L3MBTL1BACE1
SCHEMBL13487108 0.92 TOP1 (0.32) CCR1CCR8CCR5L3MBTL1BACE1
SCHEMBL13487352 0.92 CCR1 (0.32) CCR1CCR8CCR5L3MBTL1AVPR2
SCHEMBL13487975 0.90 AVPR2 (0.34) CCR1CCR8CCR5L3MBTL1AVPR2
SCHEMBL13487598 0.90 BACE1 (0.33) CCR1CCR8CCR5L3MBTL1AVPR2
SCHEMBL13487056 0.88 CCR1 (0.36) CCR1CCR8CCR5L3MBTL1HTR2C
SCHEMBL13487170 0.88 HTR2C (0.42) HTR2CENPP3ENPP1HTR2AACVR1
SCHEMBL13487171 0.86 MEN1 (0.36) L3MBTL1ENPP3ENPP1KDM4EMAPT
SCHEMBL13487175 0.85 HTR2C (0.36) HTR2CENPP3ENPP1ACVR1KDM4E
SCHEMBL13487177 0.84 ENPP1 (0.33) BACE1HTR2CENPP3ENPP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 CCR1 3535/4885CCR8 4081/4885CCR5 1804/4885

“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.