SCHEMBL10153694

SCHEMBL10153694

CC(C)(c1cn2c3ccccc3c3ccnc1c32)c1cn2c3ccccc3c3ccnc1c32

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.37
PTPN1 P18031 2/20 0.36
MCL1 Q07820 5/20 0.33
ALKBH5 Q6P6C2 1/20 0.32
FTO Q9C0B1 1/20 0.32
GPR3 P46089 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
LIMK1 P53667 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 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
SCHEMBL10153690 0.78 ALKBH5 (0.41) ALKBH5FTOGPR3
SCHEMBL30526402 0.73 NLRP3 (0.40) NLRP3PTPN1MCL1DDB1CRBN
SCHEMBL10153466 0.73
SCHEMBL10313391 0.73 NR1H2 (0.34)
SCHEMBL10153695 0.68 MAOA (0.37)
SCHEMBL12165652 0.67 NLRP3 (0.49) NLRP3PTPN1MCL1ALKBH5FTO
SCHEMBL10313371 0.65 GPR3 (0.34) ALKBH5FTOGPR3
SCHEMBL21889374 0.64 NLRP3 (0.46) NLRP3PTPN1MCL1ALKBH5FTO
SCHEMBL12165640 0.64 NLRP3 (0.46) NLRP3PTPN1MCL1
SCHEMBL10313384 0.64 SMN1; SMN2 (0.36) ALKBH5FTOGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8421066-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2013-04-16 US disclosed
US-8421066-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2013-04-16 US disclosed
US-20120178928-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-07-12 US disclosed
US-20120178928-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-07-12 US disclosed
US-8174002-B2 Organic electroluminescence device FUJIFILM CORPORATION (JP) 2012-05-08 US disclosed
US-8174002-B2 Organic electroluminescence device FUJIFILM CORPORATION (JP) 2012-05-08 US disclosed
US-20100051928-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2010-03-04 US disclosed
US-20100051928-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2010-03-04 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 (2 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-20100051928-A1 ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, CHRM1, LEF1 NLRP3 1800/4885PTPN1 3430/4885MCL1 397/4885
US-20120178928-A1 ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, CHRM1, LEF1 NLRP3 1800/4885PTPN1 3430/4885MCL1 397/4885

“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.