SCHEMBL20434689

SCHEMBL20434689

CC(C)C(=O)NCCCCCCOCCOCCCl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ ALDH1A2 O94788 1/20 0.43
▸ ALDH2 P05091 1/20 0.43
▸ ALDH1A3 P47895 1/20 0.43
▸ EPHX2 P34913 11/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ MMP8 P22894 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL23481362 0.87 KMT2A (0.54) KMT2AMEN1ALDH1A1ALDH1A2ALDH2
SCHEMBL22794783 0.85 MMP8 (0.49) KMT2AMEN1MMP8MAPT
SCHEMBL21107013 0.85 MMP8 (0.49) KMT2AMEN1MMP8MAPT
SCHEMBL13668152 0.84 KMT2A (0.57) KMT2AMEN1ALDH1A1ALDH1A2ALDH2
SCHEMBL21107012 0.84 KMT2A (0.46) KMT2AMEN1ALDH1A1ALDH1A2ALDH2
SCHEMBL23807034 0.83 EPHX1 (0.50) EPHX2MMP8
SCHEMBL25128845 0.83 KMT2A (0.45) KMT2AMEN1ALDH1A1ALDH1A2ALDH2
SCHEMBL23807051 0.83 KMT2A (0.49) KMT2AMEN1ALDH1A1ALDH1A2ALDH2
SCHEMBL27268363 0.82 KMT2A (0.47) KMT2AMEN1ALDH1A1ALDH1A2ALDH2
SCHEMBL22799828 0.81 DPP7 (0.50) KMT2AMEN1EPHX2MMP8MAPT

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
US-10730892-B2 Homoallylamines as formaldehyde-responsive triggers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-04 — — US disclosed
US-20180215773-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-02 — — US disclosed
US-20180215773-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-02 — — 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-20180215773-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS HCAR2, HCAR1, HTR2A KMT2A 1693/4885MEN1 3183/4885ALDH1A1 1031/4885
US-10730892-B2 Homoallylamines as formaldehyde-responsive triggers HCAR2, MTHFD2, AHCY KMT2A 1353/4885MEN1 2880/4885ALDH1A1 675/4885

“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.

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