SCHEMBL6306702

SCHEMBL6306702

CC(C)CN(CC(C)C)c1cc(O)cc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 3/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRA1A P35348 1/20 0.34
ESRRG P62508 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ACHE P22303 1/20 0.32
SLC16A3 O15427 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
SCHEMBL22454104 0.80 LTA4H (0.36) PTGS2
SCHEMBL6908896 0.79 ALDH1A1 (0.63) CYP3A4ALDH1A1TSHRHIF1AADRB2
SCHEMBL26418264 0.78 ACHE (0.41) CYP3A4ALDH1A1ACHESLC16A3SLC16A1
SCHEMBL1847275 0.78 ALDH1A1 (0.32) ALDH1A1SLC16A3SLC16A1
SCHEMBL6055459 0.77 ESRRG (0.49) CYP3A4ALDH1A1HIF1AADRA1AESRRG
SCHEMBL6875549 0.73 ALDH1A1 (0.61) CYP3A4BACE1ALDH1A1PTGS2TSHR
SCHEMBL9304794 0.71 ALDH1A1 (0.73) CYP3A4ALDH1A1TSHRADRA1AESRRG
SCHEMBL23836818 0.71
SCHEMBL6883382 0.68 ESRRG (0.59) CYP3A4ALDH1A1TSHRADRA1AESRRG
SCHEMBL7604038 0.67 ALDH1A1 (0.39) CYP3A4ALDH1A1TSHRESRRGSLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230384496-A1 OPTICAL MEMBER FOR USE IN DISPLAY DEVICE AND DISPLAY DEVICE INCLUDING DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-11-30 US disclosed
US-11789307-B2 Colorant filter, backlight unit, and liquid crystal display device FUJIFILM CORPORATION (JP) 2023-10-17 US disclosed
US-20230288748-A1 LIGHT ABSORPTION FILTER, OPTICAL FILTER, SELF-LUMINOUS DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DEVICE, AND MANUFACTURING METHOD FOR OPTICAL FILTER FUJIFILM CORPORATION (JP) 2023-09-14 US disclosed
US-20200303660-A1 ORGANIC PHOTOSENSITIVE DEVICES COMPRISING ARYL SQUARAINES AND METHODS OF MAKING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-24 US disclosed
US-10333079-B2 Organic photosensitive devices comprising aryl squaraines and methods of making the same UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-06-25 US disclosed
WO-2016154782-A1 SQUARYLIUM COMPOUNDS USED FOR LCD COLOR FILTERS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-10-06 WO disclosed
US-20160005983-A1 ORGANIC PHOTOSENSITIVE DEVICES COMPRISING ARYL SQUARAINES AND METHODS OF MAKING THE SAME UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-01-07 US disclosed
US-20160005983-A1 ORGANIC PHOTOSENSITIVE DEVICES COMPRISING ARYL SQUARAINES AND METHODS OF MAKING THE SAME UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-01-07 US disclosed
US-20120248419-A1 ORGANIC PHOTOSENSITIVE DEVICES COMPRISING ARYL SQUARAINES AND METHODS OF MAKING THE SAME ENERGY, UNITED STATES DEPARTMENT OF 2012-10-04 US disclosed
US-6868215-B2 Dye thin film, production method thereof, optical switch, optical distributor, optical modulator and optical switch array FUJI XEROX CO., LTD. (JP) 2005-03-15 US disclosed
US-6825363-B2 A DIBENZOFURANONYLIUM METHYLATE DERIVATIVES ZWITTERIONS, OBTAINED FROM A CYCLIZATION REACTION; MAXIMUM ABSORPTION WAVELENGTH, THERMAL STABILITY AND GOOD SOLUBILITY IN SOLVENTS FUJI XEROX CO., LTD. (JP) 2004-11-30 US disclosed
US-20040001666-A1 Dye thin film, production method thereof, optical switch, optical distributor, optical modulator and optical switch array FUJI XEROX CO., LTD. (JP) 2004-01-01 US disclosed
US-20030220511-A1 Novel compounds useful, for example, in optical switching and manufacturing method thereof FUJI XEROX CO., LTD. (JP) 2003-11-27 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-20160005983-A1 ORGANIC PHOTOSENSITIVE DEVICES COMPRISING ARYL SQUARAINES AND METHODS OF MAKING THE SAME TYR, SQLE, SPIN3 CYP3A4 656/4885BACE1 4261/4885ALDH1A1 766/4885
US-20230288748-A1 LIGHT ABSORPTION FILTER, OPTICAL FILTER, SELF-LUMINOUS DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DEVICE, AND MANUFACTURING METHOD FOR OPTICAL FILTER NLRP1, NLRP3, STRA6 CYP3A4 669/4885BACE1 1729/4885ALDH1A1 293/4885
US-20030220511-A1 Novel compounds useful, for example, in optical switching and manufacturing method thereof CYP51A1, MALT1, MGMT CYP3A4 61/4885BACE1 519/4885ALDH1A1 939/4885
US-20120248419-A1 ORGANIC PHOTOSENSITIVE DEVICES COMPRISING ARYL SQUARAINES AND METHODS OF MAKING THE SAME TYR, SQLE, SPIN3 CYP3A4 656/4885BACE1 4261/4885ALDH1A1 766/4885
US-10333079-B2 Organic photosensitive devices comprising aryl squaraines and methods of making the same TYR, SQLE, SPIN3 CYP3A4 656/4885BACE1 4261/4885ALDH1A1 766/4885
US-20200303660-A1 ORGANIC PHOTOSENSITIVE DEVICES COMPRISING ARYL SQUARAINES AND METHODS OF MAKING THE SAME TYR, SQLE, SPIN3 CYP3A4 656/4885BACE1 4261/4885ALDH1A1 766/4885

“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.