SCHEMBL1683990

SCHEMBL1683990

S=C(c1ccccc1)c1coc(C2=CCCC=C2)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HDAC1 Q13547 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL1683922 0.77 MAPT (0.36) ALDH1A1
SCHEMBL1683661 0.75 ALDH1A1 (0.58) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL21825766 0.75 NPSR1 (0.30)
SCHEMBL4415764 0.73 PDE4B (0.35) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL21825660 0.71 CYP1A2 (0.36)
SCHEMBL21825684 0.70 DAGLA (0.37) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL21826757 0.68
SCHEMBL1683674 0.65 TUBB4A (0.38) HDAC1HDAC8HDAC6
SCHEMBL6385076 0.63 HSD17B1 (0.31)
SCHEMBL13262321 0.62 L3MBTL1 (0.44) ALDH1A1

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 ALDH1A1 606/4885HDAC1 287/4885HDAC8 1096/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885HDAC1 1044/4885HDAC8 1069/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885HDAC1 1044/4885HDAC8 1069/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885HDAC1 1044/4885HDAC8 1069/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885HDAC1 1044/4885HDAC8 1069/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885HDAC1 1044/4885HDAC8 1069/4885

“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.