SCHEMBL20925010

SCHEMBL20925010

COC(=O)/C(O)=C(/C(=O)OC)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 2/20 0.33
EPHX1 P07099 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
BTK Q06187 1/20 0.33
PADI1 Q9ULC6 1/20 0.33
PADI4 Q9UM07 1/20 0.33

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
SCHEMBL10009844 0.87 CES2 (0.46) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL10009607 0.87 CES2 (0.46) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL10009603 0.87 CES2 (0.46) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL10009837 0.87 CES2 (0.46) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL10009480 0.85 CES2 (0.42) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL10009476 0.85 CES2 (0.42) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL151735 0.82 CES2 (0.41) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL29117644 0.82 CES2 (0.41) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL27232994 0.82 CES2 (0.41) SMN1; SMN2CES2CES1HDAC8HDAC6
Benzene SCHEMBL28295763 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CES2CES1HDAC8HDAC6

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-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Ivan Aleksandrovich Starikov 2019-04-25 US disclosed
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 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-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF OGDH, GOT1, OAT SMN1; SMN2 4463/4885CES2 2802/4885CES1 243/4885

“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.