SCHEMBL530902

SCHEMBL530902

CCCC(C)CC(C)CC[O]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL497427 0.88
SCHEMBL4269680 0.85 TSHR (0.56) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL3086101 0.84 ACE2 (0.38) TSHRTDP1
SCHEMBL8373190 0.83 TSHR (0.43) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL1442459 0.83
SCHEMBL234630 0.82 TSHR (0.39) TSHR
SCHEMBL31365425 0.82 TSHR (0.53) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL29197507 0.82 TSHR (0.53) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL1441794 0.77
SCHEMBL599054 0.77 TSHR (0.48) TSHR

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854877-B1 Process for the deacylation of cyclic lipopeptides ASTELLAS PHARMA INC (JP) 2012-02-08 EP disclosed
EP-2172546-A1 Process for the deacylation of cyclic lipopeptides Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
EP-0885957-B1 PROCESS FOR THE DEACYLATION OF CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC (JP) 2009-08-12 EP disclosed
EP-1854877-A2 Process for the deacylation of cyclic lipopeptides Astellas Pharma Inc. (JP) 2007-11-14 EP disclosed
EP-1666587-A1 Cyclic lipopeptide acylase Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
US-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
EP-0941237-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed
EP-0933422-A1 CYCLIC LIPOPEPTIDE ACYLASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-04 EP disclosed
EP-0885957-A1 PROCESS FOR THE DEACYLATION OF CYCLIC LIPOPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 EP disclosed
WO-1998052967-A1 NEW ECHINOCANDIDE DERIVATIVES WITH ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-26 WO disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 WO disclosed
WO-1998022498-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-28 WO disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 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 (2 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 TSHR 3849/4885CHRM1 424/4885AKR1A1 601/4885
US-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 TSHR 3903/4885CHRM1 431/4885AKR1A1 1660/4885

“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.