SCHEMBL5956877

SCHEMBL5956877

O=C(O)c1ccc2c(c1)SCCCC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.41
SRD5A2 P31213 4/20 0.41
SRD5A1 P18405 3/20 0.41
TTR P02766 1/20 0.40
PTPRC P08575 2/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 3/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
FOLH1 Q04609 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5956836 0.82 KDM4E (0.50) KDM4EHTTALDH1A1SRD5A2SRD5A1
SCHEMBL30059020 0.79 ALDH1A1 (0.58) KDM4EHTTALDH1A1SRD5A2SRD5A1
SCHEMBL20165295 0.79 MAOA (0.54) KDM4EHTTALDH1A1LMNAVHL
SCHEMBL7548043 0.79 ALDH1A1 (0.58) KDM4EHTTALDH1A1SRD5A2SRD5A1
SCHEMBL17495032 0.78 BAZ2B (0.46) KDM4EHTTALDH1A1HSD17B10VHL
SCHEMBL8138282 0.78 VHL (0.58) KDM4EHTTALDH1A1SRD5A2SRD5A1
SCHEMBL5956746 0.76 KDM4E (0.47) KDM4EHTTALDH1A1SRD5A2SRD5A1
SCHEMBL17495034 0.76 CASP1 (0.49) KDM4EHTTALDH1A1PTPRCLMNA
SCHEMBL7765239 0.76 ALDH1A1 (0.58) KDM4EHTTALDH1A1SRD5A2SRD5A1
Ethylene SCHEMBL8111230 0.75 VHL (0.55) KDM4EHTTALDH1A1SRD5A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 KDM4E 1686/4885HTT 3077/4885ALDH1A1 2624/4885

“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.