SCHEMBL1284067

SCHEMBL1284067

CCCCC(CC)COC(O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 7/20 0.47
CA2 P00918 3/20 0.41
LMNA P02545 3/20 0.41
RECQL P46063 1/20 0.40
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 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
SCHEMBL101500 0.89 CYP3A4 (0.47) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL978998 0.84 ALDH1A1 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL10498392 0.83 CYP3A4 (0.46) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL815687 0.83 CYP3A4 (0.46) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL8217861 0.82 ALDH1A1 (0.52) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL4575273 0.81 ALDH1A1 (0.53) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL28477060 0.81 CYP3A4 (0.47) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL6683323 0.80 CYP3A4 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL6248707 0.80 ALDH1A1 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL2818214 0.79 CYP3A4 (0.53) CYP3A4TSHRTDP1ATML3MBTL1

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-20120088698-A1 WATER IN OIL EMULSION, METHOD FOR THE PRODUCTION THEREOF CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 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-20120088698-A1 WATER IN OIL EMULSION, METHOD FOR THE PRODUCTION THEREOF H1-0, H1-3, H1-2 CYP3A4 3420/4885TSHR 2697/4885TDP1 4163/4885

“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.