SCHEMBL6538470

SCHEMBL6538470

[c]1c(OCCOc2cccc3ccccc23)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 12/20 0.53
KCNA3 P22001 1/20 0.50
HTR1D P28221 3/20 0.49
SLC6A4 P31645 2/20 0.48
HRH1 P35367 1/20 0.48
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NR2E1 Q9Y466 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6538554 0.83 KCNA3 (0.46) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL3159047 0.81 HTR1B (0.39) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL5289923 0.80 HTR1B (0.77) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL2214684 0.78 TSHR (0.39) ALDH1A1HPGDTDP1KDM4E
SCHEMBL2214200 0.76 ALDH1A1 (0.42) HTR1BHTR1DALDH1A1MEN1KMT2A
SCHEMBL4629557 0.76 AGXT (0.32) TDP1KDM4E
SCHEMBL1389283 0.76 TLR8 (0.37) HTR1BHTR1DALDH1A1MEN1MAPT
SCHEMBL2456166 0.75 NCF1 (0.41) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL8674828 0.75 HTR1B (0.69) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL8642238 0.75 HTR1B (0.69) HTR1BKCNA3HTR1DSLC6A4HRH1

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 HTR1B 4040/4885KCNA3 2839/4885HTR1D 3092/4885

“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.