SCHEMBL6134832

SCHEMBL6134832

CCCCCOC1CCN(c2ccc(C(=O)NNC(=O)c3ccc(C(=O)OC)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.49
HDAC8 Q9BY41 10/20 0.49
GRM2 Q14416 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 4/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE6D O43924 1/20 0.40
LIPC P11150 1/20 0.40
LIPG Q9Y5X9 1/20 0.40

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
SCHEMBL6133632 0.97 HDAC3 (0.48) HDAC3HDAC8GRM2ALDH1A1MAPT
SCHEMBL6132700 0.92 ALDH1A1 (0.46) HDAC3HDAC8GRM2ALDH1A1MAPT
SCHEMBL6132706 0.92 ALDH1A1 (0.46) HDAC3HDAC8GRM2ALDH1A1MAPT
SCHEMBL6134902 0.88 ALDH1A1 (0.50) GRM2ALDH1A1MAPTHPGDTSHR
SCHEMBL6135350 0.87 HDAC3 (0.47) HDAC3HDAC8GRM2ALDH1A1MAPT
SCHEMBL6134206 0.86 HDAC3 (0.47) HDAC3HDAC8ALDH1A1MAPTHPGD
SCHEMBL6134511 0.84 ALDH1A1 (0.47) ALDH1A1MAPTHPGDTSHRNPC1
SCHEMBL6135356 0.84 CSNK2A2 (0.44) HDAC3HDAC8GRM2ALDH1A1MAPT
SCHEMBL6134785 0.83 MAPT (0.50) HDAC3HDAC8ALDH1A1MAPTHPGD
SCHEMBL6132214 0.83 MEN1 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 HDAC3 1145/4885HDAC8 2744/4885GRM2 2621/4885

“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.