SCHEMBL283726

SCHEMBL283726

[c]1ccccc1C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
CYP11B2 P19099 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
PTGS2 P35354 5/20 0.41
ESR1 P03372 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C1 Q04828 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2D6 P10635 1/20 0.31
DAO P14920 1/20 0.31
TSHR P16473 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL616625 0.79 CYP19A1 (0.39) CYP19A1CYP11B2TDP1PTGS2ESR1
SCHEMBL8820541 0.76 ALDH1A1 (0.46) TDP1ESR1ALDH1A1CYP1A2CYP2C9
SCHEMBL482817 0.74 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL16288649 0.74
SCHEMBL8063620 0.70
SCHEMBL11076088 0.69 MAPT (0.56) CYP19A1TDP1ALDH1A1L3MBTL1
SCHEMBL11076083 0.69 MAPT (0.56) CYP19A1TDP1ALDH1A1L3MBTL1
SCHEMBL7761248 0.69 KMT2A (0.45) CYP19A1TDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL5664436 0.69
SCHEMBL339221 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943584-B1 MACROPHAGE IDENTIFICATION AGENT, AND IDENTIFICATION METHOD, SORTING METHOD, EVALUATION METHOD, SCREENING METHOD AND KIT USING THE MACROPHAGE IDENTIFIER AGENT CANON KK (JP) 2019-08-14 EP disclosed
CN-108570004-A A kind of compound that there is double action to 5-HT and its application in treating depression 郝惠敏 2018-09-25 CN disclosed
CN-108484485-A A kind of compound that there is double action to 5-HT and its application in treating depression 郝惠敏 2018-09-04 CN disclosed
CN-108484544-A A kind of compound that there is double action to 5-HT and its application in treating depression 郝惠敏 2018-09-04 CN disclosed
US-10041937-B2 Macrophage identification agent, and identification method, sorting method, evaluation method, screening method and kit using the macrophage identifier agent CANON KABUSHIKI KAISHA (JP) 2018-08-07 US disclosed
US-9801960-B2 Probe for a biological specimen and labelling method and screening method using the probe CANON KABUSHIKI KAISHA (JP) 2017-10-31 US disclosed
US-9764046-B2 Labeling composition for intraocular tissue, labeling method of intraocular tissue, and screening method CANON KABUSHIKI KAISHA (JP) 2017-09-19 US disclosed
EP-2370110-B1 LABELING COMPOSITION FOR INTRAOCULAR TISSUE, LABELING METHOD OF INTRAOCULAR TISSUE, AND SCREENING METHOD CANON KK (JP) 2017-08-02 EP disclosed
EP-2204194-B1 Probe for a hair cell, and labelling method for a hair cell using the probe for a hair cell CANON KK (JP) 2017-08-02 EP disclosed
US-20160018389-A1 MACROPHAGE IDENTIFICATION AGENT, AND IDENTIFICATION METHOD, SORTING METHOD, EVALUATION METHOD, SCREENING METHOD AND KIT USING THE MACROPHAGE IDENTIFIER AGENT CANON KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-8460639-B2 Probe for a hair cell, and labelling method for a hair cell using the probe for a hair cell CANON KABUSHIKI KAISHA (JP) 2013-06-11 US disclosed
EP-2428230-A1 Probe for auditory hair cells. Canon Kabushiki Kaisha (JP) 2012-03-14 EP disclosed
US-20110243850-A1 PROBE FOR A BIOLOGICAL SPECIMEN AND LABELLING METHOD AND SCREENING METHOD USING THE PROBE CANON KABUSHIKI KAISHA (JP) 2011-10-06 US disclosed
EP-2370111-A1 PROBE FOR A BIOLOGICAL SPECIMEN AND LABELLING METHOD AND SCREENING METHOD USING THE PROBE Canon Kabushiki Kaisha (JP) 2011-10-05 EP disclosed
EP-2370110-A1 LABELING COMPOSITION FOR INTRAOCULAR TISSUE, LABELING METHOD OF INTRAOCULAR TISSUE, AND SCREENING METHOD Canon Kabushiki Kaisha (JP) 2011-10-05 EP disclosed
US-20110236310-A1 LABELING COMPOSITION FOR INTRAOCULAR TISSUE, LABELING METHOD OF INTRAOCULAR TISSUE, AND SCREENING METHOD CANON KABUSHIKI KAISHA (JP) 2011-09-29 US disclosed
EP-2204194-A2 Probe for a hair cell, and labelling method for a hair cell using the probe for a hair cell Canon Kabushiki Kaisha (JP) 2010-07-07 EP disclosed
US-20100166663-A1 PROBE FOR A HAIR CELL, AND LABELLING METHOD FOR A HAIR CELL USING THE PROBE FOR A HAIR CELL CANON KABUSHIKI KAISHA (JP) 2010-07-01 US disclosed
WO-2010074326-A1 PROBE FOR A BIOLOGICAL SPECIMEN AND LABELLING METHOD AND SCREENING METHOD USING THE PROBE CANON KABUSHIKI KAISHA (JP) 2010-07-01 WO disclosed
WO-2010074325-A1 LABELING COMPOSITION FOR INTRAOCULAR TISSUE, LABELING METHOD OF INTRAOCULAR TISSUE, AND SCREENING METHOD CANON KABUSHIKI KAISHA (JP) 2010-07-01 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 (5 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-20110236310-A1 LABELING COMPOSITION FOR INTRAOCULAR TISSUE, LABELING METHOD OF INTRAOCULAR TISSUE, AND SCREENING METHOD ALDH1A2, PDE6C, CHAT CYP19A1 2062/4885CYP11B2 2037/4885TDP1 2825/4885
US-10041937-B2 Macrophage identification agent, and identification method, sorting method, evaluation method, screening method and kit using the macrophage identifier agent CD68, MSR1, MYADM CYP19A1 2729/4885CYP11B2 3903/4885TDP1 4751/4885
US-20110243850-A1 PROBE FOR A BIOLOGICAL SPECIMEN AND LABELLING METHOD AND SCREENING METHOD USING THE PROBE FUCA1, FABP2, ALPI CYP19A1 555/4885CYP11B2 511/4885TDP1 2647/4885
US-20160018389-A1 MACROPHAGE IDENTIFICATION AGENT, AND IDENTIFICATION METHOD, SORTING METHOD, EVALUATION METHOD, SCREENING METHOD AND KIT USING THE MACROPHAGE IDENTIFIER AGENT CD68, MSR1, MYADM CYP19A1 2729/4885CYP11B2 3903/4885TDP1 4751/4885
US-20100166663-A1 PROBE FOR A HAIR CELL, AND LABELLING METHOD FOR A HAIR CELL USING THE PROBE FOR A HAIR CELL ALPG, MKI67, KRT18 CYP19A1 1729/4885CYP11B2 602/4885TDP1 2384/4885

“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.