SCHEMBL903877

SCHEMBL903877

CCCCCOc1ccc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.77
RARB P10826 4/20 0.74
GAA P10253 1/20 0.74
TP53 P04637 1/20 0.66
TSHR P16473 1/20 0.66
PLA2G4B P0C869 6/20 0.64
PLA2G4A P47712 1/20 0.57
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55

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
SCHEMBL7732272 1.00 L3MBTL1 (0.77) L3MBTL1RARBGAATP53TSHR
SCHEMBL9000300 0.98 GAA (0.77) L3MBTL1RARBGAATP53TSHR
SCHEMBL7739031 0.98 GAA (0.77) L3MBTL1RARBGAATP53TSHR
SCHEMBL9126821 0.98 GAA (0.77) L3MBTL1RARBGAATP53TSHR
SCHEMBL9637119 0.98 GAA (0.77) L3MBTL1RARBGAATP53TSHR
SCHEMBL7732601 0.98 GAA (0.77) L3MBTL1RARBGAATP53TSHR
SCHEMBL10536554 0.98 GAA (0.77) L3MBTL1RARBGAATP53TSHR
SCHEMBL12243177 0.98 GAA (0.77) L3MBTL1RARBGAATP53TSHR
SCHEMBL15177348 0.98 GAA (0.77) L3MBTL1RARBGAATP53TSHR
SCHEMBL7733807 0.97 L3MBTL1 (0.76) L3MBTL1RARBGAATP53TSHR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3677252-A1 DOSING REGIMENS FOR ECHINOCANDIN CLASS COMPOUNDS CIDARA THERAPEUTICS, INC. (US) 2020-07-08 EP disclosed
EP-2827710-B1 DOSING REGIMENS FOR ECHINOCANDIN CLASS COMPOUNDS CIDARA THERAPEUTICS INC (US) 2019-11-20 EP disclosed
US-20170151306-A1 DOSING REGIMENS FOR ECHINOCANDIN CLASS COMPOUNDS NAPP PHARMACEUTICAL GROUP LIMITED (GB) 2017-06-01 US disclosed
US-9526835-B2 Dosing regimens for echinocandin class compounds CIDARA THERAPEUTICS, INC. (US) 2016-12-27 US disclosed
US-9056897-B2 Method for isolating a cyclohexapeptide DSM Sinochem Pharmaceuticals (NL) 2015-06-16 US disclosed
US-20150087583-A1 DOSING REGIMENS FOR ECHINOCANDIN CLASS COMPOUNDS CIDARA THERAPEUTICS, INC. (US) 2015-03-26 US disclosed
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
EP-2350119-B1 LIPOPEPTIDE COMPOUNDS AND THEIR USE UNIQUEST PTY LTD (AU) 2014-10-29 EP disclosed
US-20130184433-A1 METHOD FOR ISOLATING A CYCLOHEXAPEPTIDE DSM Sinochem Pharmaceuticals (NL) 2013-07-18 US disclosed
US-20130184433-A1 METHOD FOR ISOLATING A CYCLOHEXAPEPTIDE DSM Sinochem Pharmaceuticals (NL) 2013-07-18 US disclosed
WO-2012041801-A1 METHOD FOR ISOLATING A CYCLOHEXAPEPTIDE DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2012-04-05 WO disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US 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 (4 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-20110224129-A1 Lipopeptide Compounds and Their Use VIP, LTA, CLPTM1 L3MBTL1 690/4885RARB 2792/4885GAA 1148/4885
US-20170151306-A1 DOSING REGIMENS FOR ECHINOCANDIN CLASS COMPOUNDS XPO5, XPO1, CYP3A5 L3MBTL1 4780/4885RARB 4586/4885GAA 1243/4885
US-20150087583-A1 DOSING REGIMENS FOR ECHINOCANDIN CLASS COMPOUNDS XPO5, XPO1, CYP3A5 L3MBTL1 4780/4885RARB 4586/4885GAA 1243/4885
US-20130184433-A1 METHOD FOR ISOLATING A CYCLOHEXAPEPTIDE VIP, CASP6, CASP14 L3MBTL1 3943/4885RARB 4858/4885GAA 774/4885

“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.