SCHEMBL19862476

SCHEMBL19862476

CC(=O)c1cccc(C2CCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.70
DRD3 P35462 1/20 0.62
HDAC4 P56524 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SERPINE1 P05121 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
SCHEMBL9338681 0.98 KMO (0.73) KMODRD3HDAC4HDAC2HDAC8
SCHEMBL2908064 0.93 KMO (0.59) KMODRD3HDAC4HDAC2HDAC8
SCHEMBL4069958 0.86 KMO (0.57) KMODRD3ALDH1A1NPC1TDP1
SCHEMBL16957282 0.85 KMO (0.64) KMODRD3HDAC4HDAC2HDAC8
SCHEMBL30887466 0.85 KMO (0.51) KMODRD3ALDH1A1NPC1TDP1
SCHEMBL12577717 0.85 HTR2C (0.58) KMODRD3ALDH1A1LMNA
SCHEMBL29210011 0.85 KMO (0.51) KMODRD3ALDH1A1NPC1TDP1
SCHEMBL6051833 0.84 KMO (0.96) KMODRD3HDAC4HDAC2HDAC8
SCHEMBL2743296 0.83 DRD3 (0.60) KMODRD3HDAC4HDAC2HDAC8
Acetophenone SCHEMBL6936066 0.83 KMO (0.57) KMODRD3HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026995-A Dihydrotriazole aromatization precursor and application thereof in deacylating and arylating reaction of ketone 国科大杭州高等研究院 2024-05-14 CN disclosed
US-9983475-B2 Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-29 US disclosed
US-9983475-B2 Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-29 US disclosed
US-9950999-B2 Non-ionic low diffusing photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-9951164-B2 Non-ionic aryl ketone based polymeric photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 US disclosed
US-20180046077-A1 FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 US disclosed
US-20180046077-A1 FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 US disclosed
US-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 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 (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-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS PLG, PPARG, PKLR KMO 359/4885DRD3 3782/4885HDAC4 3175/4885
US-20180046077-A1 FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS PFAS, PLG, PPARG KMO 397/4885DRD3 3391/4885HDAC4 2162/4885

“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.