SCHEMBL13170684

SCHEMBL13170684

N#Cc1cccc(-c2ccc3c(ccc4cc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)ccc43)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
PDK2 Q15119 1/20 0.40
ADORA2A P29274 2/20 0.39
ADRA2C P18825 1/20 0.39
CHEK1 O14757 1/20 0.39
ALDH1A3 P47895 1/20 0.38
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
CLK4 Q9HAZ1 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B1 P14061 2/20 0.37

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
SCHEMBL13170703 0.95 PGR (0.41) PGRPDK2ADORA2AADRA2CCHEK1
SCHEMBL13170682 0.94 CA1 (0.39) PGRADORA2AADRA2CCYP1A2CYP3A4
SCHEMBL13170681 0.93 ESR1 (0.38) PGRPDK2CYP1A2CYP3A4CYP2C19
SCHEMBL13170661 0.92 PGR (0.41) PGRPDK2ADORA2AADRA2CCHEK1
SCHEMBL13170711 0.91 CYP11B1 (0.44) PGRPDK2ADORA2AADRA2CCHEK1
SCHEMBL13170748 0.90 PDK2 (0.43) PGRPDK2ADORA2AADRA2CCHEK1
SCHEMBL13170739 0.90 ADRA2C (0.44) PGRPDK2ADORA2AADRA2CCHEK1
SCHEMBL13170664 0.90 ADRA2C (0.44) PDK2ADORA2AADRA2CCHEK1CYP1A2
SCHEMBL13170672 0.90 ADRA2C (0.44) PDK2ADORA2AADRA2CCHEK1CYP1A2
SCHEMBL13170640 0.90 ADRA2C (0.46) PDK2ADORA2AADRA2CCHEK1CYP1A2

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-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 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-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 PGR 1045/4885PDK2 2250/4885ADORA2A 3175/4885

“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.