SCHEMBL21155780

SCHEMBL21155780

CNCC(NCC(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ANPEP P15144 1/20 0.30

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
SCHEMBL23773261 1.00 KMT2A (0.41) KMT2AADH1BADH1CADH1AANPEP
SCHEMBL14839102 0.79 KMT2A (0.38) KMT2A
SCHEMBL3966902 0.76 KMT2A (0.33) KMT2AADH1BADH1CADH1A
SCHEMBL12477914 0.75 KMT2A (0.36) KMT2A
SCHEMBL12478501 0.75
SCHEMBL7114276 0.74 ALDH1A1 (0.30)
SCHEMBL7120937 0.74 TSHR (0.40) ANPEP
Hydrochloric Acid SCHEMBL6123301 0.74 KMT2A (0.32) KMT2A
SCHEMBL27552233 0.74 TSHR (0.40) ANPEP
SCHEMBL94675 0.73

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-10934295-B2 Antimicrobials and methods of making and using same BioVersys AG (CH) 2021-03-02 US disclosed
US-20190211018-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME RIB-X PHARMACEUTICALS, INC. 2019-07-11 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 (2 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-10934295-B2 Antimicrobials and methods of making and using same LPO, MPO, OAT KMT2A 4640/4885ADH1B 1402/4885ADH1C 3856/4885
US-20190211018-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME LPO, MPO, OAT KMT2A 4640/4885ADH1B 1402/4885ADH1C 3856/4885

“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.