SCHEMBL6539586

SCHEMBL6539586

CCCCCCOc1ccc(CCC(=O)NNC(=O)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.59
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
HSP90AA1 P07900 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MMP1 P03956 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLK1 P53350 1/20 0.48

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
SCHEMBL6539579 0.88 MAPT (0.64) ALPILMNAMAPTKMT2AHSP90AA1
SCHEMBL7337735 0.88 MAPT (0.64) ALPILMNAMAPTKMT2AHSP90AA1
SCHEMBL7339228 0.88 MAPT (0.64) ALPILMNAMAPTKMT2AHSP90AA1
SCHEMBL7370818 0.88 MAPT (0.49) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7370822 0.88 MAPT (0.49) MAPTKMT2AGAAMEN1NPC1
SCHEMBL7338963 0.87 MAPT (0.66) ALPILMNAMAPTKMT2AHSP90AA1
SCHEMBL7325818 0.85 RARB (0.64) ALPILMNAMAPTKMT2AHSP90AA1
SCHEMBL7317829 0.85 RARB (0.64) ALPILMNAMAPTKMT2AHSP90AA1
SCHEMBL8742513 0.84 ALPI (0.70) ALPILMNAMAPTKMT2AHSP90AA1
SCHEMBL6539337 0.84 MAPT (0.70) ALPILMNAMAPTKMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA ALPI 1013/4885LMNA 3615/4885MAPT 3196/4885

“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.