SCHEMBL6539464

SCHEMBL6539464

NNC(=O)c1ccc(OCCCOc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
ALDH1A1 P00352 3/20 0.69
PARP10 Q53GL7 1/20 0.62
PKM P14618 1/20 0.61
RAB9A P51151 4/20 0.58
NPC1 O15118 4/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
POLB P06746 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SCN5A Q14524 1/20 0.52
SCN2A Q99250 1/20 0.52

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
SCHEMBL7323383 0.95 MAPT (0.63) MAPTALDH1A1PARP10PKMRAB9A
SCHEMBL7324247 0.92 MAPT (0.63) MAPTALDH1A1PARP10PKMRAB9A
SCHEMBL18068446 0.87 CA1 (0.66) MAPTALDH1A1PARP10PKMRAB9A
SCHEMBL28597324 0.85 MEN1 (0.65) MAPTALDH1A1PARP10PKMRAB9A
SCHEMBL10762321 0.84 PLK1 (0.65) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2835202 0.84 ALDH1A1 (0.65) MAPTALDH1A1PARP10HPGDSMN1; SMN2
SCHEMBL19168934 0.82 CA1 (0.59) MAPTALDH1A1PARP10PKMRAB9A
SCHEMBL863916 0.81 ALDH1A1 (0.88) MAPTALDH1A1PARP10RAB9ANPC1
SCHEMBL7332665 0.81 CA1 (0.64) MAPTALDH1A1NPC1CA1CA2
SCHEMBL7323028 0.81 CA1 (0.64) MAPTALDH1A1NPC1CA1CA2

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 MAPT 3196/4885ALDH1A1 4559/4885PARP10 3260/4885

“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.