SCHEMBL3971919

SCHEMBL3971919

C=C(C)C(=O)OC(=O)c1cccc2ccccc12.[Zn]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
PLK1 P53350 1/20 0.46
CDC25B P30305 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
PTK2B Q14289 1/20 0.45
MAPT P10636 4/20 0.44
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
PTPN1 P18031 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42

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
SCHEMBL559036 0.98 KMT2A (0.49) KMT2APOLBGAANR4A1NR4A2
SCHEMBL3971133 0.97 KMT2A (0.48) KMT2APOLBGAANR4A1NR4A2
SCHEMBL7559068 0.97 KMT2A (0.48) KMT2APOLBGAANR4A1NR4A2
SCHEMBL11140059 0.85 NR4A1 (0.52) KMT2APOLBGAANR4A1NR4A2
SCHEMBL28658367 0.83 CDC25B (0.51) KMT2APOLBGAANR4A1NR4A2
SCHEMBL2992730 0.83 TSHR (0.45) POLBL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL22880334 0.83 KMT2A (0.49) KMT2APOLBGAANR4A1NR4A2
SCHEMBL29600980 0.83 KMT2A (0.49) KMT2APOLBGAANR4A1NR4A2
SCHEMBL775617 0.82 NR4A1 (0.55) KMT2APOLBGAANR4A1NR4A2
Ethylene SCHEMBL10012407 0.81 NR4A1 (0.59) KMT2APOLBGAANR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202153-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-09 US disclosed
EP-1695956-B1 CYCLIC CARBOXYLIC ACID COMPOUND AND USE THEREOF CHUGOKU MARINE PAINTS (JP) 2012-06-20 EP disclosed
CN-1886360-B Novel cycloalkenycarboxylic acid and its uses CHUGOKU MARINE PAINTS 2012-01-25 CN disclosed
US-7557148-B2 Cyclic carboxylic acid compound and use thereof CHUGOKU MARINE PAINTS, LTD. (JP) 2009-07-07 US disclosed
US-20070105976-A1 Cyclic carboxylic acid compound and use thereof CHUGOKU MARINE PLANTS, LTD. (JP) 2007-05-10 US disclosed
CN-1886360-A Novel cycloalkenycarboxylic acid and its uses CHUGOKU MARINE PAINTS (JP) 2006-12-27 CN disclosed
EP-1695956-A1 CYCLIC CARBOXYLIC ACID COMPOUND AND USE THEREOF CHUGOKU MARINE PAINTS, LTD. (JP) 2006-08-30 EP disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP 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-20070105976-A1 Cyclic carboxylic acid compound and use thereof PORCN, PHOSPHO1, CA1 KMT2A 1269/4885POLB 350/4885GAA 2072/4885

“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.