SCHEMBL7516291

SCHEMBL7516291

CCOC(=O)CCCCCCCSc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
LMNA P02545 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ATM Q13315 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
TBXAS1 P24557 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.42
HSD17B10 Q99714 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
SCHEMBL7078818 0.94 ALDH1A1 (0.54) ALDH1A1LMNAMTNR1AMTNR1BATM
SCHEMBL6928975 0.88 ATM (0.57) ALDH1A1LMNAMTNR1AMTNR1BATM
SCHEMBL12685624 0.87 MTNR1A (0.56) ALDH1A1LMNAMTNR1AMTNR1BATM
SCHEMBL3186828 0.84 HDAC3 (0.59) ALDH1A1LMNARAB9AHPGDPTGDR2
SCHEMBL6935056 0.84 FAAH (0.48) ALDH1A1LMNANPC1RAB9AALOX15
SCHEMBL7364397 0.84 HDAC1 (0.57) ALDH1A1NPC1RAB9APTGDR2TBXAS1
SCHEMBL13412642 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMTNR1AMTNR1BATM
SCHEMBL16334378 0.83 ALDH1A1 (0.46) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL5000520 0.83 FAAH (0.46) ALDH1A1LMNANPC1RAB9AALOX15
SCHEMBL19474670 0.82 LTA4H (0.53) MAPT

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-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-01-17 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-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 ALDH1A1 3024/4885LMNA 3266/4885MTNR1A 3805/4885

“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.