SCHEMBL16748755

SCHEMBL16748755

CCCCOC(=O)C1(C)CCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ATM Q13315 1/20 0.44
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
EPHX1 P07099 1/20 0.40
ACHE P22303 7/20 0.39
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL23199851 0.96 ALDH1A1 (0.47) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL16391280 0.94 ALDH1A1 (0.45) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL18856346 0.89 EPHX1 (0.50) ALDH1A1TSHREPHX1ACHEHCAR2
SCHEMBL18487232 0.85 TSHR (0.38) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL11172290 0.84 GAA (0.38) ALDH1A1TSHRTDP1LMNASMN1; SMN2
SCHEMBL1439148 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTDP1HPGDHCAR2
SCHEMBL1439277 0.82 CYP3A4 (0.40) ALDH1A1TSHRTDP1HPGDHCAR2
SCHEMBL6058609 0.82 ALDH1A1 (0.48) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL16711263 0.81 ALDH1A1 (0.44) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL17696810 0.81 CNR2 (0.37) ALDH1A1TSHRTDP1EPHX1ACHE

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-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 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-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof CNR2, CNR1, GPR18 ALDH1A1 2810/4885ATM 1719/4885TSHR 1642/4885

“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.