SCHEMBL21959487

SCHEMBL21959487

CC(C)(C)[Si](C)(C)OCCCCC/C=C/C=C\CCCC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
FAAH O00519 2/20 0.36
BTN3A1 O00481 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL7308118 0.86 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1BTN3A1CYP3A4
SCHEMBL30823329 0.79 HCAR2 (0.48) ALDH1A1MAPK1L3MBTL1BTN3A1CYP3A4
SCHEMBL6085993 0.78 PTGS1 (0.35) MAPK1
SCHEMBL25182464 0.78 LTA4H (0.47) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL7715985 0.75 L3MBTL1 (0.36) MAPK1L3MBTL1BTN3A1
SCHEMBL7715986 0.75 L3MBTL1 (0.36) MAPK1L3MBTL1BTN3A1
SCHEMBL16757577 0.75 LTA4H (0.44) ALDH1A1MAPK1L3MBTL1BTN3A1TDP1
SCHEMBL329059 0.74 BTN3A1 (0.41) ALDH1A1MAPK1L3MBTL1FAAHBTN3A1
SCHEMBL329058 0.74 BTN3A1 (0.41) ALDH1A1MAPK1L3MBTL1FAAHBTN3A1
SCHEMBL31480636 0.74 LTA4H (0.46) ALDH1A1MAPK1L3MBTL1BTN3A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123197-A1 METHOD OF MAKING A CROSS METATHESIS PRODUCT NATIONAL SCIENCE FOUNDATION 2020-04-23 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-20200123197-A1 METHOD OF MAKING A CROSS METATHESIS PRODUCT DUOX2, DUOX1, RNF168 ALDH1A1 1487/4885MAPK1 3660/4885L3MBTL1 2614/4885

“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.