SCHEMBL7753262

SCHEMBL7753262

CCCc1ccc(OCC)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.67
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.51
LTA4H P09960 2/20 0.50
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
THRB P10828 1/20 0.48
ADRA2A P08913 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
ACACB O00763 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL25548946 0.98 NQO1 (0.64) NQO1TSHRTDP1ALDH1A1LTA4H
SCHEMBL10613369 0.94 NQO1 (0.58) NQO1TSHRTDP1ALDH1A1LTA4H
SCHEMBL17614864 0.94 NQO1 (0.58) NQO1TSHRTDP1ALDH1A1LTA4H
SCHEMBL9664462 0.92 NQO1 (0.56) NQO1TSHRTDP1ALDH1A1LTA4H
SCHEMBL8753212 0.90 ACACB (0.60) NQO1ACACB
SCHEMBL27863856 0.88 NQO1 (0.52) NQO1TSHRTDP1ALDH1A1LTA4H
SCHEMBL22222380 0.87 ACACB (0.54) NQO1ACACB
SCHEMBL8986268 0.86 NQO1 (0.61) NQO1TSHRTDP1ALDH1A1MAPT
SCHEMBL4248652 0.86 NQO1 (0.67) NQO1TSHRTDP1ALDH1A1LTA4H
SCHEMBL12251519 0.85 MAPT (0.66) NQO1ALDH1A1MAPTRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730817-B2 Pro-cyclic dinucleotides and pro-cyclic dinucleotide conjugates for cytokine induction INVIVOGEN (FR) 2023-08-22 US disclosed
EP-4188589-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2023-06-07 EP disclosed
CN-115515796-A Thermosensitive recording medium 王子控股株式会社 2022-12-23 CN disclosed
US-20210353760-A1 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION INVIVOGEN (FR) 2021-11-18 US disclosed
US-20210323939-A1 NOVEL PROCESSES FOR PREPARATION OF DAPAGLIFLOZIN OR ITS SOLVATES OR CO-CRYSTALS THEREOF LAURUS LABS LIMITED (IN) 2021-10-21 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
US-20180036286-A1 BIS-CYCLIC GUANIDINE COMPOUND COMPOSITIONS, METHODS OF USE AND TREATMENT THEREOF UNIVERSITY OF SOUTH FLORIDA 2018-02-08 US disclosed
US-20180036286-A1 BIS-CYCLIC GUANIDINE COMPOUND COMPOSITIONS, METHODS OF USE AND TREATMENT THEREOF UNIVERSITY OF SOUTH FLORIDA 2018-02-08 US disclosed
EP-3045466-B1 (2S,3R,4S,5S,6R)-2-[4-CHLORO-3-(4-ETHOXY-BENZYL)-PHENYL]-6-HYDROXYMETHYL-2-METHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL PROPYLENE GLYCOL SOLVATE AS SGT2 INHIBITOR FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2017-12-06 EP disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
WO-2008024922-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF WYETH (US) 2008-02-28 WO disclosed
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists BROWN ALAN D 2007-11-15 US disclosed
CN-101071281-A Toner RICOH KK (JP) 2007-11-14 CN disclosed
US-20070224538-A1 Positive Resist Compositions and Process for the Formation of Resist Patterns With the Same TOKYO OHKA KOGYO CO., LTD. (JP) 2007-09-27 US disclosed
US-20070224538-A1 Positive Resist Compositions and Process for the Formation of Resist Patterns With the Same TOKYO OHKA KOGYO CO., LTD. (JP) 2007-09-27 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
WO-2001044151-A1 PREPARATION OF 2-(4-ETHOXYPHENYL)-2-METHYLPROPYL ALCOHOL ISAGRO (ASIA) AGROCHEMICALS PRIVATE LIMITED (IN) 2001-06-21 WO disclosed
EP-0057740-A1 Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1982-08-18 EP disclosed
US-4229512-A Toners for color flash fusers containing a permanent colorant and a heat sensitive dye LENHARD MYRON J 1980-10-21 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 (7 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-11730817-B2 Pro-cyclic dinucleotides and pro-cyclic dinucleotide conjugates for cytokine induction STING1, CGAS, TLR9 NQO1 854/4885TSHR 3488/4885TDP1 1701/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP NQO1 36/4885TSHR 3747/4885TDP1 226/4885
US-20210353760-A1 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION STING1, CGAS, TLR9 NQO1 854/4885TSHR 3488/4885TDP1 1701/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP NQO1 36/4885TSHR 3747/4885TDP1 226/4885
US-20180036286-A1 BIS-CYCLIC GUANIDINE COMPOUND COMPOSITIONS, METHODS OF USE AND TREATMENT THEREOF GMPS, CGAS, RNMT NQO1 1759/4885TSHR 4606/4885TDP1 258/4885
US-20210323939-A1 NOVEL PROCESSES FOR PREPARATION OF DAPAGLIFLOZIN OR ITS SOLVATES OR CO-CRYSTALS THEREOF SLC5A1, SLC5A2, DPP4 NQO1 757/4885TSHR 3697/4885TDP1 3205/4885
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists ADRB2, ADRB1, ADRA2C NQO1 1723/4885TSHR 1269/4885TDP1 2934/4885

“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.