SCHEMBL6134505

SCHEMBL6134505

COCCCCCCOC1CCC(C2CCN(c3ccc(C(=O)NN)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
SMYD3 Q9H7B4 2/20 0.40
MAPT P10636 7/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 2/20 0.39
NR4A1 P22736 1/20 0.39
MCL1 Q07820 1/20 0.39
MEN1 O00255 4/20 0.38
PKM P14618 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL6132500 0.93 SMYD3 (0.43) SMYD3MAPTKMT2AALDH1A1HSD17B10
SCHEMBL6134735 0.93 SMYD3 (0.43) SMYD3MAPTKMT2AALDH1A1HSD17B10
SCHEMBL6132370 0.93 SMYD3 (0.43) SMYD3MAPTKMT2AALDH1A1HSD17B10
SCHEMBL6132535 0.87 MEN1 (0.45) SMYD3MAPTKMT2AALDH1A1HSD17B10
SCHEMBL6132733 0.87 MEN1 (0.45) SMYD3MAPTKMT2AALDH1A1HSD17B10
SCHEMBL6134438 0.86 MEN1 (0.44) MAPTKMT2AALDH1A1HPGDTSHR
SCHEMBL6134206 0.84 HDAC3 (0.47) SMYD3MAPTKMT2AALDH1A1HSD17B10
SCHEMBL6134785 0.83 MAPT (0.50) MAPTKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL6134902 0.83 ALDH1A1 (0.50) MAPTKMT2AALDH1A1HPGDTSHR
SCHEMBL6132700 0.81 ALDH1A1 (0.46) MAPTALDH1A1TSHRHDAC3HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 GPR119 370/4885SMYD3 4235/4885MAPT 1629/4885

“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.