SCHEMBL6134615

SCHEMBL6134615

CCCCC1(OC)CCN(c2ccc(C(=O)NNC(=O)c3ccc(C(=O)OC)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.48
HDAC8 Q9BY41 8/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 6/20 0.42
TSHR P16473 3/20 0.42
GRM2 Q14416 1/20 0.42
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6134369 0.87 HDAC3 (0.46) HDAC3HDAC8ALDH1A1MAPTTSHR
SCHEMBL6134196 0.85 HTT (0.46) ALDH1A1MAPTTSHRHPGDMEN1
SCHEMBL6134891 0.83 USP2 (0.46) HDAC3HDAC8ALDH1A1MAPTTSHR
SCHEMBL6134410 0.83 ALDH1A1 (0.41) ALDH1A1MAPTTSHRGRM2HPGD
SCHEMBL6134696 0.82 CSNK1D (0.42) HDAC3HDAC8ALDH1A1MAPTTSHR
SCHEMBL6133632 0.76 HDAC3 (0.48) HDAC3HDAC8ALDH1A1MAPTTSHR
SCHEMBL6134378 0.75 ALDH1A1 (0.51) HDAC3HDAC8ALDH1A1MAPTHPGD
SCHEMBL7341735 0.75 ALDH1A1 (0.60) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL6134832 0.75 HDAC3 (0.49) HDAC3HDAC8ALDH1A1MAPTTSHR
SCHEMBL6379350 0.74 ALDH1A1 (0.47) HDAC3HDAC8ALDH1A1MAPTTSHR

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 HDAC3 861/4885HDAC8 1112/4885ALDH1A1 1951/4885

“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.