SCHEMBL1104849

SCHEMBL1104849

OB(O)c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)c3ccccc23)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.44
CYP11B1 P15538 1/20 0.42
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 4/20 0.40
HIF1A Q16665 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1B1 Q16678 1/20 0.39
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
RAD52 P43351 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HPRT1 P00492 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
CYP1A2 P05177 3/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL2474113 1.00 TRPM4 (0.44) TRPM4CYP11B1ALDH1A1HSD17B10HPGD
SCHEMBL28423156 0.87 CYP1A2 (0.45) TRPM4CYP11B1ALDH1A1HSD17B10HPGD
SCHEMBL368234 0.84 TRPM4 (0.54) TRPM4CYP11B1ALDH1A1HSD17B10HPGD
SCHEMBL17371017 0.84 MAPT (0.45) ALDH1A1MAPK1MAPTCYP1A2KDM4E
SCHEMBL21102242 0.83 ALDH1A1 (0.46) TRPM4CYP11B1ALDH1A1HSD17B10HPGD
SCHEMBL29952492 0.81 AKR1C3 (0.41) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL26813563 0.81 AKR1C3 (0.41) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL2474387 0.78 CYP11B1 (0.50) TRPM4CYP11B1ALDH1A1HSD17B10HPGD
SCHEMBL1427222 0.77 MAPT (0.50) ALDH1A1MAPK1MAPTCYP1A2KDM4E
SCHEMBL29875461 0.77 MAPT (0.50) ALDH1A1MAPK1MAPTCYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8587192-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2013-11-19 US disclosed
US-8330350-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-12-11 US disclosed
US-8330350-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-12-11 US disclosed
US-20120139410-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120139410-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-8154195-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-04-10 US disclosed
US-8154195-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-04-10 US disclosed
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009067-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009067-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 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-20120139410-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RIF1, ARL1 TRPM4 1410/4885CYP11B1 3600/4885ALDH1A1 241/4885
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RFT1, RAE1 TRPM4 984/4885CYP11B1 1346/4885ALDH1A1 261/4885

“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.