SCHEMBL905247

SCHEMBL905247

O=[C]OC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.38
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 4/20 0.35
CYP2C9 P11712 3/20 0.35
PTPN1 P18031 1/20 0.35
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CES1 P23141 1/20 0.34
TSHR P16473 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL519210 0.82 KCNN4 (0.38) KCNN4CYP1A2ALDH1A1ALOX15CYP2C19
SCHEMBL5048108 0.78 TSHR (0.39) ALDH1A1MAPTKMT2ACES1TSHR
SCHEMBL9210109 0.78 CYP2C19 (0.44) KCNN4CYP1A2ALDH1A1ALOX15CYP2C19
SCHEMBL183489 0.76 KIF11 (0.40) KCNN4CYP1A2ALDH1A1ALOX15CYP2C19
SCHEMBL11110723 0.74 MAPK1 (0.36) KCNN4CYP1A2ALDH1A1ALOX15CYP2C19
SCHEMBL9207734 0.74 KCNN4 (0.36) KCNN4CYP1A2ALDH1A1ALOX15CYP2C19
SCHEMBL135667 0.73 MAPK1 (0.56) KCNN4ALDH1A1ALOX15CYP2C19MAPK1
SCHEMBL131978 0.73 MAPK1 (0.44) KCNN4ALDH1A1ALOX15CYP2C19MAPK1
SCHEMBL1683185 0.73 TSHR (0.44) KCNN4CYP1A2ALDH1A1ALOX15PTPN1
SCHEMBL4375758 0.72 ALDH1A1 (0.44) KCNN4CYP1A2ALDH1A1ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054893-B1 SYNTHETIC POLYMERS AND METHODS, KITS OR COMPOSITIONS FOR MODULATING THE SOLUBILITY OF SAME BOSTON PROBES INC (US) 2007-03-14 EP claimed
US-20040102571-A1 METHODS FOR MODULATING THE SOLUBILITY OF SYNTHETIC POLYMERS APPLIED BIOSYSTEMS, LLC 2004-05-27 US claimed
EP-1054893-A1 SYNTHETIC POLYMERS AND METHODS, KITS OR COMPOSITIONS FOR MODULATING THE SOLUBILITY OF SAME Boston Probes, Inc. (US) 2000-11-29 EP claimed
WO-1999037670-A1 SYNTHETIC POLYMERS AND METHODS, KITS OR COMPOSITIONS FOR MODULATING THE SOLUBILITY OF SAME BOSTON PROBES, INC. (US) 1999-07-29 WO claimed
EP-0053538-B1 VINYL-3 CEPHALOSPORIN DERIVATIVES AND THEIR PREPARATION RHONE-POULENC SANTE (FR) 1986-03-12 EP claimed
US-20210171437-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO VERA THERAPEUTICS INC (US) 2021-06-10 US disclosed
EP-3655388-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO Trucode Gene Repair, Inc. (US) 2020-05-27 EP disclosed
US-20190055190-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO NEUBASE THERAPEUTICS, INC. 2019-02-21 US disclosed
WO-2019018422-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO TRUCODE GENE REPAIR, INC. (US) 2019-01-24 WO disclosed
US-7884053-B2 Methods, kits and compositions pertaining to combination oligomers and libraries for their preparation BOSTON PROBES, INC. (US) 2011-02-08 US disclosed
EP-1748078-B1 Methods, kits and compositions of combination oligomers BOSTON PROBES INC (US) 2011-01-19 EP disclosed
US-7851155-B2 Methods, kits and compositions pertaining to combination oligomers and libraries for their preparation BOSTON PROBES, INC. (US) 2010-12-14 US disclosed
US-5602275-A MAY BE USED TO ACCELERATE RECOVERY FROM NEUTROPENIA ACCOMPANYING RADIO- OR CHEMOTHERAPY, BONE MARROW TRANSPLANTATION OR INFECTIONS AMERICAN CYANAMID COMPANY (US) 1997-02-11 US disclosed
WO-1996040685-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PERSEPTIVE BIOSYSTEMS, INC. (US) 1996-12-19 WO disclosed
EP-0652228-B1 Urethanes and ureas that induce cytokine production AMERICAN CYANAMID CO (US) 1996-10-23 EP disclosed
US-5545662-A USED TO ACCELERATE RECOVERY FROM NEUTROPENIA ACCOMPANYING RADIO OR CHEMOTHERAPY, BONE MARROW TRANSPLANTATION, OR INFECTIONS AMERICAN CYANAMID COMPANY (US) 1996-08-13 US disclosed
EP-0652228-A1 Urethanes and ureas that induce cytokine production AMERICAN CYANAMID COMPANY (US) 1995-05-10 EP disclosed
US-5312831-A Immunology, anticarcinogenic agents and AIDS treatment AMERICAN CYANAMID COMPANY (US) 1994-05-17 US disclosed
EP-0027260-B1 PEPTIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-13 EP disclosed
US-4089955-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1978-05-16 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 (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-20190055190-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO TARBP1, TIA1, SSB KCNN4 4451/4885CYP1A2 4778/4885ALDH1A1 4569/4885
US-20210171437-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AND NOVEL INTERMEDIATES AND METHODS RELATED THERETO TARBP1, TIA1, SSB KCNN4 4451/4885CYP1A2 4778/4885ALDH1A1 4569/4885

“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.