SCHEMBL6538554

SCHEMBL6538554

[c]1c(OCCCCOc2cccc3cc4ccccc4cc23)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 3/20 0.46
HTR1B P28222 7/20 0.43
SLC6A4 P31645 2/20 0.40
HRH1 P35367 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
HTR1D P28221 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6538470 0.83 HTR1B (0.53) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL4720961 0.81 ALDH1A1 (0.33) MEN1KMT2A
SCHEMBL6538521 0.77 KCNA3 (0.52) KCNA3HTR1B
SCHEMBL9421991 0.75 KCNA3 (0.54) KCNA3HTR1BSLC6A4HRH1HTR1D
SCHEMBL1396371 0.75 LTA4H (0.41) TDP1MEN1KMT2A
SCHEMBL28411404 0.75 HTR1B (0.54) KCNA3HTR1BSLC6A4HRH1TDP1
SCHEMBL2458064 0.74 MCHR1 (0.41) SLC6A4HRH1TDP1HRH3HTR2A
SCHEMBL6283599 0.74 MCHR1 (0.41) SLC6A4HRH1TDP1HRH3HTR2A
SCHEMBL20678360 0.74 KCNA3 (0.53) KCNA3HTR1BSLC6A4HRH1HTR1D
SCHEMBL17912877 0.74 KCNA3 (0.53) KCNA3HTR1BSLC6A4HRH1HTR1D

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 4040/4885SLC6A4 4817/4885

“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.