SCHEMBL7608083

SCHEMBL7608083

CCOC(=O)CC(Cl)(Cl)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 5/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.37
CYP2D6 P10635 1/20 0.37
TRPA1 O75762 1/20 0.36
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
NAAA Q02083 1/20 0.33

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
SCHEMBL6483909 0.82 KMT2A (0.41) KMT2AALDH1A1MGAMGAASI
SCHEMBL15876257 0.81 KMT2A (0.42) KMT2AALDH1A1MGAMGAASI
SCHEMBL11094400 0.81 KMT2A (0.40) KMT2AALDH1A1MGAMGAASI
SCHEMBL27863456 0.79 KMT2A (0.39) KMT2AALDH1A1MGAMGAASI
SCHEMBL3649459 0.79 KMT2A (0.39) KMT2AALDH1A1MGAMGAASI
SCHEMBL28100711 0.79 KMT2A (0.39) KMT2AALDH1A1MGAMGAASI
SCHEMBL901251 0.79 KMT2A (0.39) KMT2AALDH1A1MGAMGAASI
SCHEMBL10028033 0.78 ALDH1A1 (0.38) KMT2AALDH1A1THRBATML3MBTL1
SCHEMBL1245725 0.77 KMT2A (0.37) KMT2AALDH1A1MGAMGAASI
SCHEMBL9797015 0.76 ALDH1A1 (0.38) KMT2AALDH1A1MGAMGAASI

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-20020161030-A1 Sulpur derivatives containing a retroamide bond as inhibitors of endothelin-converting enzymes HOECHST MARION ROUSSEL 2002-10-31 US disclosed
US-6420341-B1 TREATING VASOCONSTRICTOR AND HYPERTENSION EFFECTS IN WARM-BLOODED ANIMALS AVENTIS PHARMA S.A. (FR) 2002-07-16 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-20020161030-A1 Sulpur derivatives containing a retroamide bond as inhibitors of endothelin-converting enzymes EDNRA, ECE1, EDNRB KMT2A 2735/4885ALDH1A1 553/4885MGAM 697/4885

“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.