SCHEMBL24596012

SCHEMBL24596012

CCCCCN[C@@H](C)CC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 4/20 0.45
EPHX1 P07099 6/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH4 P08319 2/20 0.37
ADH7 P40394 2/20 0.37
THRB P10828 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL7774986 1.00 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EEPHX1HTT
SCHEMBL7770667 0.97 EPHX1 (0.46) ALDH1A1TSHRKDM4EEPHX1HTT
SCHEMBL21808586 0.97 EPHX1 (0.46) ALDH1A1TSHRKDM4EEPHX1HTT
SCHEMBL7777007 0.97 EPHX1 (0.46) ALDH1A1TSHRKDM4EEPHX1HTT
SCHEMBL25122655 0.97 EPHX1 (0.46) ALDH1A1TSHRKDM4EEPHX1HTT
SCHEMBL7775120 0.97 EPHX1 (0.46) ALDH1A1TSHRKDM4EEPHX1HTT
SCHEMBL19205925 0.97 EPHX1 (0.46) ALDH1A1TSHRKDM4EEPHX1HTT
SCHEMBL24508589 0.97 EPHX1 (0.46) ALDH1A1TSHRKDM4EEPHX1HTT
Hydrochloric Acid SCHEMBL22771630 0.97 KDM4E (0.44) ALDH1A1TSHRKDM4EEPHX1HTT
SCHEMBL19963745 0.97 EPHX1 (0.46) ALDH1A1TSHRKDM4EEPHX1HTT

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-20220211727-A1 Mito-Magnolol Compounds and Methods of Synthesis and Use Thereof AIX-MARSEILLE UNIVERSITE (FR) 2022-07-07 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-20220211727-A1 Mito-Magnolol Compounds and Methods of Synthesis and Use Thereof CYP11B1, MFN2, CYP11B2 ALDH1A1 3239/4885TSHR 4249/4885KDM4E 2515/4885

“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.