SCHEMBL16896239

SCHEMBL16896239

COC(=O)c1ccc(C(c2c(O)oc3ccccc3c2=O)c2c(O)oc3ccccc3c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 10/20 0.50
TNKS O95271 1/20 0.50
TOP1 P11387 1/20 0.48
GAA P10253 2/20 0.47
RAB9A P51151 1/20 0.47
CYP2C9 P11712 3/20 0.46
CRHBP P24387 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
CRHR2 Q13324 1/20 0.46
HIF1A Q16665 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL16904616 0.93 CYP2C9 (0.53) NQO1TNKSTOP1GAARAB9A
SCHEMBL16904614 0.92 CYP2C9 (0.43) NQO1TNKSTOP1GAARAB9A
SCHEMBL16904605 0.87 CYP2C9 (0.58) NQO1TNKSTOP1GAARAB9A
SCHEMBL16904609 0.85 CYP2C9 (0.47) NQO1TNKSTOP1GAARAB9A
SCHEMBL20355820 0.83 TNKS (0.39) NQO1TNKSTOP1GAARAB9A
SCHEMBL1649142 0.83 NQO1 (0.73) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL18465488 0.82 NQO1 (0.51) NQO1TOP1GAACYP2C9CRHBP
SCHEMBL21169024 0.77 KMT2A (0.39) NQO1TNKSRAB9ACYP2C9L3MBTL1
SCHEMBL4960881 0.74 NQO1 (0.60) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL1649800 0.72 MAOA (0.52) NQO1GAACYP2C9CRHBPCASP7

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175777-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein SOUTHERN METHODIST UNIVERSITY 2022-06-09 US disclosed
US-11234978-B2 Inhibitors of multidrug resistance transporter P-glycoprotein SOUTHERN METHODIST UNIVERSITY (US) 2022-02-01 US disclosed
US-11234978-B2 Inhibitors of multidrug resistance transporter P-glycoprotein SOUTHERN METHODIST UNIVERSITY (US) 2022-02-01 US disclosed
US-11013739-B2 Inhibitors of multidrug resistance transporter p-glycoprotein SOUTHERN METHODIST UNIVERSITY (US) 2021-05-25 US disclosed
US-11013739-B2 Inhibitors of multidrug resistance transporter p-glycoprotein SOUTHERN METHODIST UNIVERSITY (US) 2021-05-25 US disclosed
US-10898485-B2 Inhibitors of multidrug resistance transporter p-glycoprotein SOUTHERN METHODIST UNIVERSITY (US) 2021-01-26 US disclosed
US-20200138816-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein SOUTHERN METHODIST UNIVERSITY 2020-05-07 US disclosed
US-20200138816-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein SOUTHERN METHODIST UNIVERSITY 2020-05-07 US disclosed
US-20200069687-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein SOUTHERN METHODIST UNIVERSITY 2020-03-05 US disclosed
US-20200069687-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein SOUTHERN METHODIST UNIVERSITY 2020-03-05 US disclosed
US-10172855-B2 Inhibitors of multidrug resistance transporter P-glycoprotein SOUTHERN METHODIST UNIVERSITY (US) 2019-01-08 US disclosed
US-10172855-B2 Inhibitors of multidrug resistance transporter P-glycoprotein SOUTHERN METHODIST UNIVERSITY (US) 2019-01-08 US disclosed
US-20180185366-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-05 US disclosed
US-20180185366-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-05 US disclosed
US-20180185366-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-05 US disclosed
US-20170128447-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-11 US disclosed
US-20170128447-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-11 US disclosed
US-20170128447-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-11 US disclosed
US-9561227-B2 Inhibitors of multidrug resistance transporter P-glycoprotein SOUTHERN METHODIST UNIVERSITY (US) 2017-02-07 US disclosed
US-20150196560-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein SOUTHERN METHODIST UNIVERSITY 2015-07-16 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 (10 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-20200069687-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein ABCC1, ABCB1, SLC47A2 NQO1 1026/4885TNKS 3364/4885TOP1 719/4885
US-20170128447-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein ABCC1, ABCB1, SLC47A2 NQO1 1026/4885TNKS 3364/4885TOP1 719/4885
US-11234978-B2 Inhibitors of multidrug resistance transporter P-glycoprotein ABCC1, ABCB1, SLC47A2 NQO1 1026/4885TNKS 3364/4885TOP1 719/4885
US-20200138816-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein ABCC1, ABCB1, SLC47A2 NQO1 1026/4885TNKS 3364/4885TOP1 719/4885
US-20180185366-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein ABCC1, ABCB1, SLC47A2 NQO1 1026/4885TNKS 3364/4885TOP1 719/4885
US-20150196560-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein ABCC1, ABCB1, SLC47A2 NQO1 1026/4885TNKS 3364/4885TOP1 719/4885
US-10172855-B2 Inhibitors of multidrug resistance transporter P-glycoprotein ABCC1, ABCB1, SLC47A2 NQO1 1026/4885TNKS 3364/4885TOP1 719/4885
US-11013739-B2 Inhibitors of multidrug resistance transporter p-glycoprotein ABCC1, ABCB1, SLC47A2 NQO1 1026/4885TNKS 3364/4885TOP1 719/4885
US-10898485-B2 Inhibitors of multidrug resistance transporter p-glycoprotein ABCC1, ABCB1, SLC47A2 NQO1 1026/4885TNKS 3364/4885TOP1 719/4885
US-20220175777-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein ABCC1, ABCB1, SLC47A2 NQO1 1026/4885TNKS 3364/4885TOP1 719/4885

“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.