SCHEMBL6134935

SCHEMBL6134935

CCCCC1(OC)CCN(c2ccc(-c3ncc(-c4ccc(C=O)cc4)s3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 4/20 0.31
MAOB P27338 1/20 0.30
MAPKAPK2 P49137 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
SCHEMBL6134560 0.88 ALDH1A1 (0.37) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL6134106 0.87 ACVRL1 (0.34) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6134391 0.73 CHKA (0.36) ALDH1A1KDM4ESMN1; SMN2APPMAPKAPK2
SCHEMBL15019812 0.71 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15019748 0.71 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15193627 0.66 HSD17B1 (0.49) ALDH1A1HDAC4HDAC1HDAC6KDM4E
SCHEMBL15193788 0.66 ALDH1A3 (0.61) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31559968 0.66 XDH (0.40) ALDH1A1SMN1; SMN2
SCHEMBL27990925 0.65 TYR (0.56) ALDH1A1HDAC6KDM4ESMN1; SMN2
SCHEMBL6134196 0.65 HTT (0.46) ALDH1A1KDM4E

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-20050004014-A1 Fungicides, microbiocides; glucanase inhibitor; prophylaxis, therapy for pneumocystis infections in humans, animals FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
WO-2004113368-A1 CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC. (JP) 2004-12-29 WO 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 1951/4885TRIM24 2631/4885TRIM33 2252/4885

“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.