SCHEMBL4040669

SCHEMBL4040669

O=C1c2ccccc2CCc2cc(O)ccc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.61
MIF P14174 9/20 0.60
MAOB P27338 2/20 0.60
MAPK14 Q16539 2/20 0.60
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
AKR1B1 P15121 2/20 0.58
CYP26A1 O43174 4/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
MAOA P21397 1/20 0.53
PRKCI P41743 1/20 0.53

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
SCHEMBL29669379 1.00 CES1 (0.61) CES1MIFMAOBMAPK14TDP1
SCHEMBL11089109 0.89 TDP1 (0.69) CES1MIFMAOBMAPK14TDP1
SCHEMBL8460792 0.88 SRD5A1 (0.56) CES1MIFMAOBMAPK14CYP26A1
SCHEMBL15676305 0.85 MAOA (0.67) CES1MIFMAOBMAPK14TDP1
SCHEMBL44496 0.82 CES1 (0.90) CES1MIFMAOBMAPK14TDP1
SCHEMBL29408351 0.82 CES1 (0.90) CES1MIFMAOBMAPK14TDP1
SCHEMBL29437756 0.82 CES1 (0.90) CES1MIFMAOBMAPK14TDP1
SCHEMBL4135475 0.81 CES1 (0.61) CES1MAOBMAPK14TDP1L3MBTL1
SCHEMBL2312578 0.81 AKR1B1 (0.58) MIFMAOBMAPK14AKR1B1CYP26A1
SCHEMBL4040922 0.81 SRD5A1 (0.46) CES1MIFMAOBMAPK14CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247541-A1 METHODS OF MAKING AND USING PLATFORMS FOR PEPTIDE SYNTHESIS AND COMPOSITIONS THEREOF Peptilogics, Inc. (US) 2023-09-27 EP disclosed
WO-2022109456-A1 METHODS OF MAKING AND USING PLATFORMS FOR PEPTIDE SYNTHESIS AND COMPOSITIONS THEREOF LEE FRANCIS (US) 2022-05-27 WO disclosed
US-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-01 US disclosed
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 US disclosed
EP-2648707-B1 HYDROXYLATED TRICYCLIC COMPOUNDS NEKTAR THERAPEUTICS (US) 2016-05-11 EP disclosed
EP-2648707-B1 HYDROXYLATED TRICYCLIC COMPOUNDS NEKTAR THERAPEUTICS (US) 2016-05-11 EP disclosed
US-9090535-B2 Hydroxylated tricyclic compounds NEKTAR THERAPEUTICS (US) 2015-07-28 US disclosed
US-9090535-B2 Hydroxylated tricyclic compounds NEKTAR THERAPEUTICS (US) 2015-07-28 US disclosed
US-9090535-B2 Hydroxylated tricyclic compounds NEKTAR THERAPEUTICS (US) 2015-07-28 US disclosed
US-20130317114-A1 Hydroxylated Tricyclic Compounds NEKTAR THERAPEUTICS (US) 2013-11-28 US disclosed
WO-2012079017-A1 HYDROXYLATED TRICYCLIC COMPOUNDS NEKTAR THERAPEUTICS (US) 2012-06-14 WO disclosed
WO-2012079017-A1 HYDROXYLATED TRICYCLIC COMPOUNDS NEKTAR THERAPEUTICS (US) 2012-06-14 WO disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
US-5442122-A Peptide amide linker SHIMADZU CORPORATION (JP) 1995-08-15 US disclosed
EP-0597400-A1 Dibenzosuberyl and dibenzosuberenyl derivatives and their use as linker groups SHIMADZU CORPORATION (JP) 1994-05-18 EP 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 CES1 439/4885MIF 1642/4885MAOB 2154/4885
US-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE NR1H4, SLC10A1, SLC10A2 CES1 284/4885MIF 2393/4885MAOB 1261/4885
US-20130317114-A1 Hydroxylated Tricyclic Compounds ABCG2, UGT1A1, HTT CES1 1345/4885MIF 1282/4885MAOB 439/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 CES1 435/4885MIF 1592/4885MAOB 2012/4885

“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.