SCHEMBL5074269

SCHEMBL5074269

CC(C)CCCCCOP(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RARB P10826 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
BCHE P06276 1/20 0.34
MGLL Q99685 1/20 0.33
GBA1 P04062 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL28515578 1.00 MMP9 (0.40) MMP9MEN1KMT2AALDH1A1HTT
SCHEMBL6561393 0.85 TSHR (0.46) ALDH1A1TDP1L3MBTL1TSHRMGLL
SCHEMBL11305016 0.82 CETP (0.46) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL11529935 0.82 CETP (0.46) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL11431937 0.82 CETP (0.46) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL9861937 0.82 CETP (0.46) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL28228053 0.81 RARB (0.38) MMP9MEN1KMT2AALDH1A1HTT
SCHEMBL16055690 0.80 L3MBTL1 (0.54) MMP9TDP1L3MBTL1TSHRGBA1
SCHEMBL10653320 0.80 L3MBTL1 (0.54) MMP9TDP1L3MBTL1TSHRGBA1
SCHEMBL10652311 0.80 L3MBTL1 (0.54) MMP9TDP1L3MBTL1TSHRGBA1

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-7423168-B2 Reacting allyl starting compound with oxygen nucleophilic agent in presence of transition metal catalyst and monodentate phosphite MITSUBISHI CHEMICAL CORPORATION (JP) 2008-09-09 US disclosed
US-20040092777-A1 Method for producing allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-13 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-20040092777-A1 Method for producing allyl compound CCNT1, APEX1, REV1 MMP9 4056/4885MEN1 294/4885KMT2A 2660/4885

“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.