SCHEMBL14870941

SCHEMBL14870941

CCOC(=O)C1CCCC1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
CCR1 P32246 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL7733838 0.98 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL3003560 0.98 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL31017143 0.91 ALDH1A1 (0.37) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL417314 0.91 ALDH1A1 (0.37) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL15800125 0.87 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL15800134 0.85 ALDH1A1 (0.34) ALDH1A1KMT2ATP53CYP3A4PPM1B
SCHEMBL14870925 0.85 ALDH1A1 (0.34) ALDH1A1KMT2ATP53CYP3A4PPM1B
SCHEMBL5750749 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL5750745 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL5791354 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATP53CYP3A4

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-8754252-B2 Asymmetric cyclization processes using unsaturated nitro compounds NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-06-17 US disclosed
US-20130096338-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-04-18 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-20130096338-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NQO1, COASY, NOS2 ALDH1A1 2383/4885MEN1 3219/4885KMT2A 3541/4885

“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.