SCHEMBL5598968

SCHEMBL5598968

C=CCC(CCCCCC)C(=O)N[C@H](C)c1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.45
MMP2 P08253 2/20 0.45
MMP3 P08254 1/20 0.45
GPR139 Q6DWJ6 4/20 0.43
KCNB1 Q14721 1/20 0.43
EPHX2 P34913 2/20 0.43
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
PRKG1 Q13976 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHEK1 O14757 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 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
SCHEMBL5599660 0.85 MMP2 (0.59) MEN1KMT2APOLBMMP2MMP3
SCHEMBL5599303 0.85 MMP2 (0.59) MEN1KMT2APOLBMMP2MMP3
SCHEMBL5599307 0.85 MMP2 (0.59) MEN1KMT2APOLBMMP2MMP3
SCHEMBL5599724 0.77 ALDH1A1 (0.38) EPHX2MAPK1
SCHEMBL15831237 0.73 POLB (0.63) MEN1KMT2ASMN1; SMN2POLBGPR139
SCHEMBL14229500 0.71 MEN1 (0.64) MEN1KMT2ASMN1; SMN2POLBGPR139
SCHEMBL29051699 0.71 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2POLBGPR139
SCHEMBL17335677 0.71 MEN1 (0.67) MEN1KMT2ASMN1; SMN2POLBGPR139
SCHEMBL18722726 0.71 MEN1 (0.67) MEN1KMT2ASMN1; SMN2POLBGPR139
SCHEMBL17335712 0.71 MEN1 (0.67) MEN1KMT2ASMN1; SMN2POLBGPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282605-B2 Optically active 2-allylcarboxylic acid derivative and process for producing the same KANEKA CORPORATION (JP) 2007-10-16 US disclosed
US-20060223152-A1 Optically active 2-allylcarboxylic acid derivative and process for producing the same KANEKA CORPORATION (JP) 2006-10-05 US disclosed
EP-1650187-A1 OPTICALLY ACTIVE 2-ALLYLCARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2006-04-26 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-20060223152-A1 Optically active 2-allylcarboxylic acid derivative and process for producing the same APEH, NAAA, AADAC MEN1 4167/4885KMT2A 1020/4885SMN1; SMN2 3792/4885

“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.