SCHEMBL1789233

SCHEMBL1789233

C=C(CCC(=C)C(=O)O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.48
▸ CES2 O00748 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ CTBP2 P56545 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41

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
SCHEMBL2192015 0.84 AKR1B1 (0.58) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL41907 0.81 CES1 (0.58) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL27564061 0.79 CES1 (0.56) CES1CES2AKR1B1CTBP2MEN1
Hydrochloric Acid SCHEMBL27862997 0.79 CES1 (0.56) CES1CES2AKR1B1CTBP2MEN1
Bromide SCHEMBL11497452 0.79 CES1 (0.56) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL30529 0.78 KEAP1 (0.61) KMT2AHDAC8HDAC6ALDH1A1MAPK1
SCHEMBL2191995 0.77 MAPT (0.58) CES1CES2AKR1B1HDAC8HDAC6
SCHEMBL2190411 0.77 HDAC3 (0.57) CES1CES2AKR1B1HDAC8HDAC6
SCHEMBL22431869 0.77 CES2 (0.44) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL6472045 0.77 CES1 (0.59) CES1CES2AKR1B1CTBP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110123929-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, PRODUCTION METHOD FOR THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM CORPORATION (JP) 2011-05-26 — — US disclosed
US-7041416-B2 Photosensitive resin composition, transfer material, image forming method, color filter and producing method thereof and photomask and producing method thereof FUJI PHOTO FILM CO., LTD. (JP) 2006-05-09 — — 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 (1 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-20110123929-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, PRODUCTION METHOD FOR THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT PPOX, CRY2, HCCS CES1 3064/4885CES2 2491/4885AKR1B1 784/4885

“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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