SCHEMBL18330368

SCHEMBL18330368

CCOC(C)C(=O)N1CCC(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 3/20 0.52
NPC1 O15118 1/20 0.44
POLB P06746 2/20 0.42
GAA P10253 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
LIPE Q05469 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL10310604 0.82 EPHX2 (0.43) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL11989435 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL20311441 0.77 CYP3A4 (0.58) ALDH1A1KMT2AHPGDPOLBGAA
SCHEMBL10627932 0.77 CA2 (0.38) MEN1KMT2AHPGDPOLBGAA
SCHEMBL16368739 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL16435174 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL11955634 0.76 EPHX2 (0.39) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL10310589 0.76 LIPE (0.40) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL2606047 0.75 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL13901271 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHPGDNPC1

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-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-12-22 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-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885MEN1 2804/4885KMT2A 1832/4885

“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.