SCHEMBL462675

SCHEMBL462675

CCC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.62
KCNH2 Q12809 1/20 0.62
CA4 P22748 1/20 0.50
LTA4H P09960 2/20 0.48
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL13060384 1.00 KIF11 (0.62) KIF11KCNH2CA4LTA4HLMNA
SCHEMBL15212173 0.85 KIF11 (0.68) KIF11KCNH2CA4LTA4HLMNA
SCHEMBL28076975 0.85 KIF11 (0.54) KIF11KCNH2CA4LTA4HLMNA
SCHEMBL28076974 0.85 KIF11 (0.54) KIF11KCNH2CA4LTA4HLMNA
SCHEMBL8212109 0.83 MAPT (0.47) KIF11KCNH2LTA4HLMNAHTT
SCHEMBL1971090 0.82 KCNN4 (0.48) KIF11SMN1; SMN2
SCHEMBL8592606 0.82 KIF11 (0.60) KIF11KCNH2CA4LTA4HLMNA
SCHEMBL17964412 0.82 KIF11 (0.70) KIF11KCNH2CA4LTA4HLMNA
SCHEMBL5838167 0.82 KIF11 (0.60) KIF11KCNH2CA4LTA4HLMNA
SCHEMBL9694723 0.82 KIF11 (0.60) KIF11KCNH2CA4LTA4HLMNA

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
US-11021497-B2 Compositions and methods for synthesis of phosphorylated molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-01 US disclosed
US-20200239500-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-30 US disclosed
US-20200031861-A1 BICONJUGATABLE LABELS AND METHODS OF USE Quantum-Si Incorporated (US) 2020-01-30 US disclosed
WO-2017165851-A1 PROCESS FOR THE PREPARATION OF PEGYLATED DRUG-LINKERS AND INTERMEDIATES THEREOF SEATTLE GENETICS, INC. (US) 2017-09-28 WO disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
US-20160089446-A1 Modified Hydrogels ASCENDIS PHARMA A/S (DK) 2016-03-31 US disclosed
EP-2489364-B1 Monomethylvaline compounds conjugated to antibodies SEATTLE GENETICS INC (US) 2015-01-07 EP disclosed
US-8557780-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2013-10-15 US disclosed
US-20130064843-A1 Identification of conserved peptide blocks in homologous polypeptides DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-14 US disclosed
US-20120289457-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES AVI BIOPHARMA, INC. (US) 2012-11-15 US disclosed
US-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2012-03-15 US disclosed
US-20120034247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-09 US disclosed
US-20120027784-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-02 US disclosed
US-20120027783-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-02 US disclosed
US-7446186-B2 Pyrroles substituted by oligonucleotides BIOMERIEUX (FR) 2008-11-04 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 (10 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-20200031861-A1 BICONJUGATABLE LABELS AND METHODS OF USE CLTB, HLCS, CD44 KIF11 1572/4885KCNH2 4852/4885CA4 2567/4885
US-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS PGLS, RABGGTB, LNPEP KIF11 505/4885KCNH2 1152/4885CA4 3681/4885
US-20160089446-A1 Modified Hydrogels CD44, DNPH1, PHYKPL KIF11 4228/4885KCNH2 4389/4885CA4 1385/4885
US-20200239500-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules PIK3CA, CHAMP1, TYMP KIF11 2519/4885KCNH2 3514/4885CA4 2075/4885
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB KIF11 2391/4885KCNH2 4825/4885CA4 4692/4885
US-20120027783-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM KIF11 3035/4885KCNH2 4238/4885CA4 3198/4885
US-20120027784-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM KIF11 3035/4885KCNH2 4238/4885CA4 3198/4885
US-20120034247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM KIF11 3035/4885KCNH2 4238/4885CA4 3198/4885
US-11021497-B2 Compositions and methods for synthesis of phosphorylated molecules PIK3CA, CHAMP1, TYMP KIF11 2519/4885KCNH2 3514/4885CA4 2075/4885
US-20120289457-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES SNRPE, SMN1; SMN2, UPF1 KIF11 2968/4885KCNH2 4863/4885CA4 4654/4885

“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.