SCHEMBL846010

SCHEMBL846010

O=C(CO)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
FABP5 Q01469 3/20 0.52
FABP7 O15540 2/20 0.52
EPHX2 P34913 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HTR2A P28223 1/20 0.42
CASP3 P42574 2/20 0.41

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
SCHEMBL5497604 0.87 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL10261416 0.86 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29708199 0.85 ALDH1A1 (0.54) KMT2AFABP5FABP7EPHX2
SCHEMBL3920318 0.84 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL8474153 0.84 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL3623157 0.84 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL4839280 0.84 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29397975 0.84 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7268313 0.84 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14407142 0.84 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912645-B2 Lipopeptide compounds for the treatment of pain disorders INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2024-02-27 US disclosed
US-11834521-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2023-12-05 US disclosed
US-11793881-B2 Polyethylene glycol conjugate medicament, preparation method therefor and use thereof Chongqing Upgra Biotechnology Co., Ltd. (CN) 2023-10-24 US disclosed
US-20230303619-A1 DEPROTECTION METHOD AND RESIN REMOVAL METHOD IN SOLID-PHASE REACTION FOR PEPTIDE COMPOUND OR AMIDE COMPOUND, AND METHOD FOR PRODUCING PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-09-28 US disclosed
US-20230279052-A1 PRODRUGS OF MITOCHONDRIA-TARGETING OLIGOPEPTIDES STEALTH BIOTHERAPEUTICS INC. 2023-09-07 US disclosed
US-20230129258-A1 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES BICYCLETX LIMITED (GB) 2023-04-27 US disclosed
US-20180215782-A1 PEPTIDE SYNTHESIS METHOD JITSUBO CO., LTD. (JP) 2018-08-02 US disclosed
US-20180170962-A1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2018-06-21 US disclosed
US-20170360668-A1 USE OF ESTER DERIVATIVE OF TRYPTOPHAN AS DEODORANT AND/OR PERFUME AGENT L'OREAL (FR) 2017-12-21 US disclosed
US-20170246326-A1 Modular Imaging Agents Containing Amino Acids and Peptides ROCHESTER INSTITUTE OF TECHNOLOGY (US) 2017-08-31 US disclosed
US-20100311827-A1 Chlorogenic acid derivatives and their use as anti-fungal agents GENESIS GROUP INC. (CA) 2010-12-09 US disclosed
US-7642285-B2 Compounds and methods for modulating communication and virulence in quorum sensing bacteria WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-05 US disclosed
US-20080287346-A1 Bioactive peptides SVENDSEN JOHN SIGURD 2008-11-20 US disclosed
US-7417030-B2 Indazole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 US disclosed
US-7414105-B2 Peptide dimer bonded to polyethylene glycol through amide groups; insufficient or defective red blood cell production AFFYMAX, INC. (US) 2008-08-19 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7312306-B2 Substituted heterocyclic acyl-tripeptides useful as thrombin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-25 US disclosed
US-20070286846-A1 Novel methods for ester detoxication HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2007-12-13 US disclosed
US-7256253-B2 Protection of endogenous therapeutic peptides from peptidase activity through conjugation to blood components CONJUCHEM BIOTECHNOLOGIES INC. (CA) 2007-08-14 US disclosed
US-20070032408-A1 Novel spacer moiety for poly (ethylene glycol) modified peptide based compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 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 (14 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-20180215782-A1 PEPTIDE SYNTHESIS METHOD NPPA, PEPD, PTMS KMT2A 4306/4885FABP5 1296/4885FABP7 800/4885
US-20080287346-A1 Bioactive peptides VIP, NGLY1, IAPP KMT2A 4638/4885FABP5 755/4885FABP7 845/4885
US-20180170962-A1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION PSMB1, PSMB9, PSMB3 KMT2A 2447/4885FABP5 4544/4885FABP7 4149/4885
US-11912645-B2 Lipopeptide compounds for the treatment of pain disorders VIP, FABP2, TRPV1 KMT2A 4623/4885FABP5 115/4885FABP7 36/4885
US-20100311827-A1 Chlorogenic acid derivatives and their use as anti-fungal agents ERG28, CYP51A1, ETF1 KMT2A 2667/4885FABP5 1965/4885FABP7 1824/4885
US-20230279052-A1 PRODRUGS OF MITOCHONDRIA-TARGETING OLIGOPEPTIDES ARG2, NLN, OAT KMT2A 4069/4885FABP5 3390/4885FABP7 435/4885
US-11793881-B2 Polyethylene glycol conjugate medicament, preparation method therefor and use thereof SLC10A1, SLC10A2, NOTUM KMT2A 2951/4885FABP5 2747/4885FABP7 2014/4885
US-20170360668-A1 USE OF ESTER DERIVATIVE OF TRYPTOPHAN AS DEODORANT AND/OR PERFUME AGENT TPH1, TPH2, TDO2 KMT2A 3579/4885FABP5 240/4885FABP7 212/4885
US-20230303619-A1 DEPROTECTION METHOD AND RESIN REMOVAL METHOD IN SOLID-PHASE REACTION FOR PEPTIDE COMPOUND OR AMIDE COMPOUND, AND METHOD FOR PRODUCING PEPTIDE COMPOUND VIP, PEPD, MLN KMT2A 1449/4885FABP5 1921/4885FABP7 2202/4885
US-20070032408-A1 Novel spacer moiety for poly (ethylene glycol) modified peptide based compounds NGLY1, YWHAZ, PAM KMT2A 4258/4885FABP5 2973/4885FABP7 2026/4885
US-20070286846-A1 Novel methods for ester detoxication CES2, BCHE, ACHE KMT2A 2377/4885FABP5 565/4885FABP7 122/4885
US-20230129258-A1 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES TAP1, TIMCC, CD81 KMT2A 2917/4885FABP5 1317/4885FABP7 1528/4885
US-11834521-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same GUCY1A1, GUCY1A2, GUCY1B1 KMT2A 3991/4885FABP5 3373/4885FABP7 2527/4885
US-20170246326-A1 Modular Imaging Agents Containing Amino Acids and Peptides SLC43A1, TAP1, TFIP11 KMT2A 1561/4885FABP5 352/4885FABP7 75/4885

“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.