SCHEMBL684878

SCHEMBL684878

O=C(O)C(Cc1ccccc1)c1ccccc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
EPHX1 P07099 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CPA1 P15085 3/20 0.45
P4HTM Q9NXG6 1/20 0.44
CPA3 P15088 2/20 0.43
FOLH1 Q04609 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SRR Q9GZT4 2/20 0.42

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
SCHEMBL684343 0.83 ATM (0.48) LMNAGAAL3MBTL1KMT2AALDH1A1
SCHEMBL3048277 0.81 ACP3 (0.59) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL21409442 0.81 KMT2A (0.40) CYP1A2CPA1PPARGPPARAHPGD
SCHEMBL9463713 0.78 IDO1 (0.45) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL27525615 0.77 PPARG (0.51) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL27890995 0.77 PPARG (0.51) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL27520955 0.76 CYSLTR2 (0.45) PPARGPPARAKMT2AALDH1A1HSD17B10
SCHEMBL467919 0.75 CYP2D6 (0.51) CYP1A2EPHX1PPARGPPARAHPGD
SCHEMBL29794297 0.75 CYP2D6 (0.51) CYP1A2EPHX1PPARGPPARAHPGD
SCHEMBL22070724 0.74 P4HTM (0.56) CYP1A2EPHX1ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440963-B2 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
US-20160220541-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2016-08-04 US disclosed
US-20160220540-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2016-08-04 US disclosed
US-20160008327-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS EyePoint, Inc. 2016-01-14 US disclosed
US-9174950-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9096555-B2 Methods for treating vascular leak syndrome AERPIO THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
US-20150050277-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2015-02-19 US disclosed
US-20140378445-A9 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2014-12-25 US disclosed
US-8883832-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS INC. (US) 2014-11-11 US disclosed
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-25 US disclosed
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS INC. (US) 2014-09-18 US disclosed
US-20140249100-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AERPIO THERAPEUTICS INC. (US) 2014-09-04 US disclosed
US-20140242026-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2014-08-28 US disclosed
US-20140179693-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME SHALWITZ ROBERT (US) 2014-06-26 US disclosed
US-20140066458-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2014-03-06 US disclosed
US-8569348-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS INC. (US) 2013-10-29 US disclosed
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 US disclosed
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2012-05-24 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 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 (14 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-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 CYP1A2 4824/4885EPHX1 1184/4885ALPI 2991/4885
US-20160220541-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR CYP1A2 4131/4885EPHX1 785/4885ALPI 420/4885
US-20140242026-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 CYP1A2 3978/4885EPHX1 501/4885ALPI 1379/4885
US-20140066458-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 CYP1A2 4581/4885EPHX1 1592/4885ALPI 9/4885
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 CYP1A2 3978/4885EPHX1 501/4885ALPI 1379/4885
US-20140288134-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 CYP1A2 4824/4885EPHX1 1184/4885ALPI 2991/4885
US-20140378445-A9 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM CYP1A2 4700/4885EPHX1 1221/4885ALPI 27/4885
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR CYP1A2 4131/4885EPHX1 785/4885ALPI 420/4885
US-20140249100-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 CYP1A2 3978/4885EPHX1 501/4885ALPI 1379/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 CYP1A2 4581/4885EPHX1 1592/4885ALPI 9/4885
US-20140179693-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, EPCAM CYP1A2 4700/4885EPHX1 1221/4885ALPI 27/4885
US-20160008327-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS TSG101, MMP8, EPCAM CYP1A2 3083/4885EPHX1 275/4885ALPI 2572/4885
US-20160220540-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR CYP1A2 4131/4885EPHX1 785/4885ALPI 420/4885
US-20150050277-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR DISEASES VEGFA, FLT4, AQP3 CYP1A2 4763/4885EPHX1 1176/4885ALPI 1771/4885

“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.