SCHEMBL16627670

SCHEMBL16627670

CO/C(=C\C(=O)CC(C)C)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
KISS1R Q969F8 2/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
STAT3 P40763 1/20 0.30

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
SCHEMBL17177260 0.83 ALDH1A1 (0.42) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL20384963 0.78 ALDH1A1 (0.42) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL10534323 0.76 NPSR1 (0.46) ALDH1A1TDP1
SCHEMBL18288142 0.76 CA2 (0.35) ALDH1A1TDP1CA2
SCHEMBL10358202 0.76 NPSR1 (0.46) ALDH1A1TDP1
SCHEMBL30655848 0.75 ALDH1A1 (0.34) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL2220485 0.72 ALDH1A1 (0.50) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL24344856 0.71 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL11511816 0.70 ALDH1A1 (0.48) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL16642030 0.70 TDP1 (0.42) ALDH1A1TDP1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170352821-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-12-07 US disclosed
US-9799838-B2 Fluorinated organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-10-24 US disclosed
US-20170288157-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-10-05 US disclosed
EP-3205658-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-08-16 EP disclosed
US-20170229663-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-08-10 US disclosed
US-9691993-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-06-27 US disclosed
US-20170092880-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-03-30 US disclosed
US-9590194-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION 2017-03-07 US disclosed
US-20170062737-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-03-02 US disclosed
US-20160359123-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-12-08 US disclosed
US-20160285013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-09-29 US disclosed
US-9397302-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-07-19 US disclosed
US-20160133860-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-05-12 US disclosed
US-20160133859-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-05-12 US disclosed
US-20160104848-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-04-14 US disclosed
US-20150295187-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-10-15 US disclosed
US-20150236276-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2015-08-20 US disclosed
US-20150097169-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-09 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 (11 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-20170062737-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBPL3 ALDH1A1 1255/4885TDP1 2336/4885CA2 4231/4885
US-20170092880-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, ZYX, LOXL1 ALDH1A1 2502/4885TDP1 4294/4885CA2 1852/4885
US-20170229663-A1 Organic electroluminescent materials and devices OSBP, OCIAD1, OCIAD2 ALDH1A1 1821/4885TDP1 1249/4885CA2 3386/4885
US-20150295187-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, LOXL4, LOXL1 ALDH1A1 2956/4885TDP1 3939/4885CA2 2315/4885
US-20170288157-A1 Organic Electroluminescent Materials and Devices EPCAM, YAP1, KCNN2 ALDH1A1 802/4885TDP1 4415/4885CA2 1754/4885
US-20170352821-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ORC3, OCIAD1, ICOSLG ALDH1A1 2142/4885TDP1 2519/4885CA2 3684/4885
US-20160359123-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES EML4, MAL2, MYOC ALDH1A1 2440/4885TDP1 3488/4885CA2 1895/4885
US-20160104848-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ORC3, FARS2, FARSA ALDH1A1 1829/4885TDP1 2513/4885CA2 3161/4885
US-20160133860-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, LBR, NR1H2 ALDH1A1 3801/4885TDP1 4792/4885CA2 1976/4885
US-20160285013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ORC3, FARS2, FARSA ALDH1A1 1829/4885TDP1 2513/4885CA2 3161/4885
US-20160133859-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, NR1H2, NR1H3 ALDH1A1 3365/4885TDP1 4862/4885CA2 2867/4885

“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.