SCHEMBL16048940

SCHEMBL16048940

CN1CCN(CCCCC=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.50
SIGMAR1 Q99720 3/20 0.43
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
HTR7 P34969 1/20 0.36

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
SCHEMBL3952508 0.93 PAOX (0.47) PAOXSIGMAR1ALDH1A1MEN1RAD52
SCHEMBL986238 0.89 HRH3 (0.46) PAOXTSHRHIF1A
SCHEMBL984275 0.89 HRH3 (0.46) PAOXTSHRHIF1A
SCHEMBL2561862 0.84 SIGMAR1 (0.46) PAOXSIGMAR1ALDH1A1MEN1RAD52
SCHEMBL678971 0.82 HRH3 (0.56) SIGMAR1ALDH1A1TSHRHIF1A
SCHEMBL2592744 0.81 TSHR (0.54) TSHR
SCHEMBL6663287 0.81 PAOX (0.60) PAOXSIGMAR1ALDH1A1USP2HPGD
SCHEMBL20234244 0.81 PAOX (0.60) PAOXSIGMAR1ALDH1A1USP2HPGD
SCHEMBL7293982 0.80 HRH3 (0.61) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL7289625 0.80 TSHR (0.56) SIGMAR1ALDH1A1TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968145-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS Mallinckrodt LLC (US) 2016-01-20 EP claimed
WO-2014160392-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS MALLINCKRODT LLC (US) 2014-10-02 WO claimed
US-20140271822-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS MALLINCKRODT LLC (US) 2014-09-18 US claimed

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-20140271822-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS SGMS2, PHOSPHO1, SGMS1 PAOX 2277/4885SIGMAR1 3278/4885ALDH1A1 3529/4885

“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.