SCHEMBL6538513

SCHEMBL6538513

[c]1ccc(OCOc2cccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.54
HTR1B P28222 10/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR1D P28221 2/20 0.45
SLC6A4 P31645 2/20 0.44
HRH1 P35367 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NR2E1 Q9Y466 1/20 0.43
OGG1 O15527 1/20 0.42

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
SCHEMBL6539580 0.85 KCNA3 (0.71) KCNA3HTR1BTDP1HTR1DSLC6A4
SCHEMBL16902842 0.84 HTR1B (0.64) KCNA3HTR1BKDM4EALDH1A1HPGD
SCHEMBL4051789 0.82 KCNA3 (0.59) KCNA3KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL37789 0.79 MEN1 (0.44) KCNA3HTR1BKDM4EALDH1A1HPGD
SCHEMBL4060720 0.78 NR3C1 (0.39) HTR1BKDM4EALDH1A1HTR1DMEN1
SCHEMBL6538593 0.76 KCNA3 (0.48) KCNA3HTR1BALDH1A1TDP1HTR1D
SCHEMBL6538510 0.75 HTR1B (0.47) KCNA3HTR1BKDM4EALDH1A1HPGD
SCHEMBL4050754 0.75 PARP10 (0.57) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL4053843 0.74 MEN1 (0.53) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL23499970 0.74 KCNA3 (0.54) KCNA3HTR1BKDM4EALDH1A1HPGD

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 KCNA3 2839/4885HTR1B 4040/4885KDM4E 4695/4885

“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.