SCHEMBL4415764

SCHEMBL4415764

O=C(c1coc(C2=CCCC=C2)n1)c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.34
HDAC1 Q13547 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
PDE4D Q08499 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32
ESRRA P11474 1/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1683872 0.83 ALDH1A1 (0.40) PDE4BALDH1A1MAPTHDAC1HDAC8
SCHEMBL1683628 0.77 ALDH1A1 (0.59) PDE4BALDH1A1HDAC1HDAC8HDAC6
SCHEMBL1683642 0.76 ATM (0.38) HDAC1HDAC8HDAC6CES2CES1
SCHEMBL1683750 0.76 MAPK14 (0.33) ALDH1A1MAPTCES2CES1NPC1
SCHEMBL1683990 0.73 ALDH1A1 (0.35) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL21825684 0.72 DAGLA (0.37) PDE4BALDH1A1HDAC1HDAC8HDAC6
SCHEMBL1683751 0.71 HDAC1 (0.37) PDE4BALDH1A1MAPTHDAC1HDAC8
SCHEMBL1683674 0.69 TUBB4A (0.38) MAPTHDAC1HDAC8HDAC6POLB
SCHEMBL21825766 0.66 NPSR1 (0.30)
SCHEMBL18433030 0.64 TACR3 (0.33)

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 10 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
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 PDE4B 3529/4885ALDH1A1 606/4885MAPT 4836/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 PDE4B 3169/4885ALDH1A1 619/4885MAPT 4391/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 PDE4B 3169/4885ALDH1A1 619/4885MAPT 4391/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 PDE4B 3169/4885ALDH1A1 619/4885MAPT 4391/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 PDE4B 3169/4885ALDH1A1 619/4885MAPT 4391/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 PDE4B 3169/4885ALDH1A1 619/4885MAPT 4391/4885

“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.