SCHEMBL15940311

SCHEMBL15940311

CC(C)c1ccccc1-n1c(-c2ccccc2)nc2cc(-c3ccccc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 1/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15940161 0.91 RAB9A (0.40) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL15946180 0.90 NLRP3 (0.39) NLRP3HDAC1HDAC8HDAC6SIRT2
SCHEMBL13299528 0.90 NLRP3 (0.52) NLRP3SIRT2SIRT1ESR1ESR2
SCHEMBL15940200 0.87 ALDH1A1 (0.43) NLRP3HDAC1HDAC8HDAC6SIRT2
SCHEMBL2456887 0.86 ESR1 (0.51) ESR1ESR2ALDH1A1GAAPTGS2
SCHEMBL15946181 0.85 NLRP3 (0.37) NLRP3HDAC1HDAC8HDAC6SIRT2
SCHEMBL22507395 0.83 ESR1 (0.46) ESR1ESR2ALDH1A1GAAL3MBTL1
SCHEMBL22522519 0.83 ESR1 (0.46) ESR1ESR2ALDH1A1GAAL3MBTL1
SCHEMBL15940168 0.82 ALDH1A1 (0.36) NLRP3HDAC1HDAC8HDAC6ESR1
SCHEMBL22522249 0.80 KDM4E (0.47) ESR1ESR2ALDH1A1GAAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10400163-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-03 US disclosed
US-10400163-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-03 US disclosed
US-9108986-B2 Method for producing optically active tetrahydroquinolines HAMARI CHEMICALS, LTD. (JP) 2015-08-18 US disclosed
US-20140225069-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2014-08-14 US disclosed
US-20140225069-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2014-08-14 US disclosed
US-20140228572-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE TETRAHYDROQUINOLINES HAMARI CHEMICALS, LTD. (JP) 2014-08-14 US disclosed
US-20140225069-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2014-08-14 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-10400163-B2 Organic electroluminescent materials and devices INTS9, SRSF9, PRMT9 NLRP3 2980/4885HDAC1 1430/4885HDAC8 3716/4885
US-20140228572-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE TETRAHYDROQUINOLINES QDPR, IDH3B, IDH3A NLRP3 2221/4885HDAC1 297/4885HDAC8 2616/4885

“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.