SCHEMBL12306482

SCHEMBL12306482

Cc1cnc2c(c1)Cc1cc(C)cnc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.39
▸ CCR5 P51681 3/20 0.39
▸ CCR8 P51685 3/20 0.39
▸ NOS3 P29474 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ PDK2 Q15119 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ PLAU P00749 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ COPS5 Q92905 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 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
SCHEMBL12306493 0.85 CCR1 (0.39) CCR1CCR5CCR8NOS3NOS2
SCHEMBL10356735 0.84 CCR1 (0.34) CCR1CCR5CCR8NOS3NOS2
SCHEMBL10356673 0.82 PDK2 (0.36) CCR1CCR5CCR8NOS3NOS2
SCHEMBL27241020 0.76 CYP17A1 (0.41) CCR1CCR5CCR8KMT2APDK2
SCHEMBL26266860 0.73 KMT2A (0.33) NOS3NOS2NOS1KMT2ACNR2
SCHEMBL26266853 0.73 KMT2A (0.33) CCR1CCR5CCR8NOS3NOS2
SCHEMBL26266845 0.72 KMT2A (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL11992050 0.72 PTAFR (0.43) CCR1CCR5CCR8KMT2APDK2
SCHEMBL1915232 0.72 KMT2A (0.41) CCR1CCR5CCR8NOS3NOS2
SCHEMBL10464762 0.70 KMT2A (0.33) CCR1CCR5CCR8NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732138-B2 Deep ultraviolet-excitable water-solvated polymeric dyes BECTON, DICKINSON AND COMPANY (US) 2023-08-22 — — US disclosed
US-20180163054-A1 WATER-SOLUBLE POLYMERIC DYES BECTON, DICKINSON AND COMPANY 2018-06-14 — — US disclosed
US-9065055-B2 Method for preparing doped organic semiconductor materials and formulation utilized therein NOVALED AG (DE) 2015-06-23 — — US disclosed
US-9065055-B2 Method for preparing doped organic semiconductor materials and formulation utilized therein NOVALED AG (DE) 2015-06-23 — — US disclosed
EP-2008318-B1 METHOD FOR PREPARING DOPED ORGANIC SEMICONDUCTOR MATERIALS NOVALED AG (DE) 2013-02-13 — — EP disclosed
US-8013160-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-09-06 — — US disclosed
US-8013160-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-09-06 — — US disclosed
US-20100277063-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-11-04 — — US disclosed
US-20100277063-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-11-04 — — US disclosed
US-20100233844-A1 Method for Preparing Doped Organic Semiconductor Materials and Formulation Utilized Therein NOVALED AG (DE) 2010-09-16 — — US disclosed
US-20100233844-A1 Method for Preparing Doped Organic Semiconductor Materials and Formulation Utilized Therein NOVALED AG (DE) 2010-09-16 — — US disclosed
US-7781628-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781628-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7683225-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-03-23 — — US disclosed
US-7683225-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-03-23 — — US disclosed
US-20080303433-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-12-11 — — US disclosed
US-20080303433-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-12-11 — — US disclosed
US-20080129192-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-06-05 — — US disclosed
US-20080129192-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-06-05 — — US disclosed
WO-2007107356-A1 METHOD FOR PREPARING DOPED ORGANIC SEMICONDUCTOR MATERIALS AND FORMULATION UTILIZED THEREIN NOVALED AG (DE) 2007-09-27 — — 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 (2 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-20100277063-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME LEF1, FLNA, AFF2 CCR1 4694/4885CCR5 4805/4885CCR8 3922/4885
US-20080303433-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME FLNA, AFF2, LEF1 CCR1 4652/4885CCR5 4807/4885CCR8 3947/4885

“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.

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