SCHEMBL6133874

SCHEMBL6133874

COC1(C2CCCCC2)CCC(N2CCN(c3ccc(-c4ccc(C=O)cc4)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
TLR7 Q9NYK1 2/20 0.36
TLR8 Q9NR97 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOB P27338 1/20 0.34
TLR9 Q9NR96 1/20 0.34
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL6133877 1.00 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2TRIM24TRIM33
SCHEMBL6132188 0.84 USP2 (0.43) ALDH1A1KDM4EHRH3L3MBTL3L3MBTL1
SCHEMBL6232059 0.84 USP2 (0.43) ALDH1A1KDM4EHRH3L3MBTL3L3MBTL1
SCHEMBL6132187 0.84 USP2 (0.43) ALDH1A1KDM4EHRH3L3MBTL3L3MBTL1
SCHEMBL6132596 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2HRH3L3MBTL3
SCHEMBL6132375 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2HRH3L3MBTL3
SCHEMBL6132374 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2HRH3L3MBTL3
SCHEMBL6132744 0.81 USP2 (0.46) ALDH1A1KDM4EHRH3L3MBTL3L3MBTL1
SCHEMBL6133752 0.80 MEN1 (0.39) ALDH1A1KDM4EHRH3L3MBTL3L3MBTL1
SCHEMBL6133750 0.80 MEN1 (0.39) ALDH1A1KDM4EHRH3L3MBTL3L3MBTL1

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-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 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-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals MAN2B1, MAN2A1, MANBA ALDH1A1 1951/4885KDM4E 3543/4885SMN1; SMN2 4495/4885

“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.