SCHEMBL3567978

SCHEMBL3567978

COc1cccc(OC)c1/C=C/C(=O)/C=C/c1c(OC)cccc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.71
NFE2L2 Q16236 4/20 0.65
TFEB P19484 1/20 0.65
CYP1A2 P05177 4/20 0.59
CYP2D6 P10635 3/20 0.59
CYP1A1 P04798 2/20 0.59
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LY96 Q9Y6Y9 1/20 0.54
AURKA O14965 1/20 0.51
NFKB1 P19838 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3567982 1.00 ABCG2 (0.71) ABCG2NFE2L2TFEBCYP1A2CYP2D6
SCHEMBL14191358 0.91 ABCG2 (0.61) ABCG2NFE2L2TFEBCYP1A2CYP2D6
SCHEMBL28993538 0.89 ABCG2 (0.63) ABCG2NFE2L2TFEBCYP1A2CYP2D6
SCHEMBL18513242 0.88 NFE2L2 (0.61) ABCG2NFE2L2TFEBCYP1A2CYP2D6
SCHEMBL16382580 0.87 ABCG2 (0.56) ABCG2NFE2L2TFEBCYP1A2CYP2D6
SCHEMBL16587940 0.86 ABCG2 (0.69) ABCG2NFE2L2TFEBCYP1A2CYP2D6
SCHEMBL16265418 0.86 ABCG2 (0.69) ABCG2NFE2L2TFEBCYP1A2CYP2D6
SCHEMBL16265416 0.86 ABCG2 (0.69) ABCG2NFE2L2TFEBCYP1A2CYP2D6
SCHEMBL20123366 0.85 ABCG2 (0.67) ABCG2NFE2L2TFEBCYP1A2CYP2D6
SCHEMBL7954649 0.85 ABCG2 (0.67) ABCG2NFE2L2TFEBCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2022-05-19 US disclosed
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-12-10 US disclosed
US-10751330-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-25 US disclosed
US-10744124-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-18 US disclosed
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-05-14 US disclosed
US-10576067-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof ANKH LIFE SCIENCES LIMITED (IE) 2020-03-03 US disclosed
US-10471049-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof ANKH LIFE SCIENCES LIMITED (IE) 2019-11-12 US disclosed
US-20190231756-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF ANKH LIFE SCIENCES LIMITED (IE) 2019-08-01 US disclosed
US-9925153-B2 Therapeutic agents for skin diseases and conditions STC.UNM (US) 2018-03-27 US disclosed
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2018-03-22 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 US disclosed
US-20040176384-A1 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY 2004-09-09 US disclosed
US-6664272-B2 Such as 1,5-Bis-(2, 4-difluorophenyl)penta-1,4-diene-3 -one; administering to inhibit tissue factor and vascular endothelial growth factor (VEGF) production in cancerous tissue EMORY UNIVERSITY 2003-12-16 US disclosed
EP-1242379-A1 CURCUMIN ANALOGUES FOR TREATING CANCER Emory University (US) 2002-09-25 EP disclosed
WO-2001040188-A9 CURCUMIN ANALOGUES FOR TREATING CANCER UNIV EMORY (US) 2002-07-25 WO disclosed
US-20020019382-A1 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY 2002-02-14 US disclosed
WO-2001040188-A1 CURCUMIN ANALOGUES FOR TREATING CANCER EMORY UNIVERSITY (US) 2001-06-07 WO 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 (13 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-10744124-B2 Human therapeutic agents INMT, HNMT, HASPIN ABCG2 842/4885NFE2L2 832/4885TFEB 414/4885
US-20190231756-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT ABCG2 629/4885NFE2L2 1139/4885TFEB 705/4885
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT ABCG2 629/4885NFE2L2 1139/4885TFEB 705/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 ABCG2 2380/4885NFE2L2 75/4885TFEB 19/4885
US-10751330-B2 Human therapeutic agents INMT, HNMT, HASPIN ABCG2 842/4885NFE2L2 832/4885TFEB 414/4885
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN ABCG2 842/4885NFE2L2 832/4885TFEB 414/4885
US-20040176384-A1 Curcumin analogs with anti-tumor and anti-angiogenic properties PGF, VEGFA, VHL ABCG2 175/4885NFE2L2 137/4885TFEB 265/4885
US-10471049-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof INMT, HNMT, COMT ABCG2 629/4885NFE2L2 1139/4885TFEB 705/4885
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN ABCG2 842/4885NFE2L2 832/4885TFEB 414/4885
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN ABCG2 842/4885NFE2L2 832/4885TFEB 414/4885
US-10576067-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof INMT, HNMT, COMT ABCG2 629/4885NFE2L2 1139/4885TFEB 705/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 ABCG2 4415/4885NFE2L2 5/4885TFEB 346/4885
US-20020019382-A1 Curcumin analogs with anti-tumor and anti-angiogenic properties PGF, VEGFA, VHL ABCG2 175/4885NFE2L2 137/4885TFEB 265/4885

“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.