SCHEMBL1683609

SCHEMBL1683609

COc1cccc(C(=O)c2coc(-c3ccccc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.55
PDE4B Q07343 2/20 0.55
DGAT2 Q96PD7 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC1 Q13547 5/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL1683724 0.90 ALDH1A1 (0.54) PDE4BDGAT2ALDH1A1TSHRHSD17B10
SCHEMBL1683699 0.86 HDAC1 (0.60) PDE4BALDH1A1HDAC1HDAC8HDAC6
SCHEMBL1683692 0.82 ALDH1A1 (0.55) PDE4BALDH1A1TSHRHSD17B10HDAC1
SCHEMBL1683862 0.82 ALDH1A1 (0.68) CNR2PDE4BALDH1A1HDAC1HDAC8
SCHEMBL2881741 0.82 PDE4B (0.65) PDE4BDGAT2ALDH1A1HSD17B10HDAC1
SCHEMBL722625 0.80 ALDH1A1 (0.51) PDE4BALDH1A1HSD17B10HDAC1HDAC8
SCHEMBL1683589 0.78 CNR2 (0.46) CNR2PDE4BHDAC1HDAC8HDAC6
SCHEMBL27768646 0.78 ALDH1A1 (0.74) PDE4BALDH1A1HDAC1HDAC8HDAC6
SCHEMBL30518895 0.77 ALDH1A1 (0.69) CNR2ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL12245520 0.76 TPMT (0.49) CNR2PDE4BALDH1A1HSD17B10HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US disclosed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 WO disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY CNR2 495/4885PDE4B 3529/4885DGAT2 1808/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CNR2 3924/4885PDE4B 3169/4885DGAT2 3029/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CNR2 3924/4885PDE4B 3169/4885DGAT2 3029/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CNR2 3924/4885PDE4B 3169/4885DGAT2 3029/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CNR2 3924/4885PDE4B 3169/4885DGAT2 3029/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CNR2 3924/4885PDE4B 3169/4885DGAT2 3029/4885

“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.