SCHEMBL6134811

SCHEMBL6134811

COCCCCCCOC1CCC(C2CCN(c3ccc(-c4nnc(-c5ccc(C(=O)OC)cc5)s4)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
PDE6D O43924 1/20 0.37
CSNK2A2 P19784 4/20 0.37
CSNK2A1 P68400 4/20 0.37
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL6934067 0.94 ALDH1A1 (0.41) ALDH1A1PDE6DCSNK2A2CSNK2A1PDE4D
SCHEMBL6132291 0.94 ALDH1A1 (0.41) ALDH1A1PDE6DCSNK2A2CSNK2A1PDE4D
SCHEMBL6132272 0.94 ALDH1A1 (0.41) ALDH1A1PDE6DCSNK2A2CSNK2A1PDE4D
Hydrochloric Acid SCHEMBL6134551 0.91 CSNK2A2 (0.43) CSNK2A2CSNK2A1USP2HRH3
SCHEMBL6132377 0.90 WNT3A (0.40) ALDH1A1CSNK2A2CSNK2A1PDE4DPDE7A
SCHEMBL6135356 0.87 CSNK2A2 (0.44) ALDH1A1CSNK2A2CSNK2A1PDE4DPDE7A
SCHEMBL6132376 0.86 CSNK2A2 (0.46) ALDH1A1CSNK2A2CSNK2A1USP2HRH3
SCHEMBL6134697 0.86 CSNK2A2 (0.43) ALDH1A1CSNK2A2CSNK2A1PDE4DPDE7A
Hydrochloric Acid SCHEMBL6134979 0.85 CSNK2A2 (0.45) ALDH1A1CSNK2A2CSNK2A1USP2HRH3
Hydrochloric Acid SCHEMBL6132312 0.85 CSNK2A2 (0.45) ALDH1A1CSNK2A2CSNK2A1USP2HRH3

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 ALDH1A1 3841/4885PDE6D 1950/4885CSNK2A2 1527/4885

“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.