SCHEMBL2697362

SCHEMBL2697362

CCCOCCOc1ccc(CC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
CYP3A4 P08684 1/20 0.53
CASP1 P29466 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
HTT P42858 1/20 0.52
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.51
APP P05067 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.46
RARB P10826 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL23267301 1.00 LMNA (0.53) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL14579984 0.94 ALDH1A1 (0.56) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL9512393 0.91 APP (0.50) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL16560386 0.90 LMNA (0.59) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL19928241 0.88 ALDH1A1 (0.51) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL11411458 0.87 LMNA (0.58) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL5929490 0.87 MAPT (0.62) LMNASMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL18431949 0.86 KDM4E (0.56) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL23267296 0.86 LMNA (0.59) LMNASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL9828836 0.85 LMNA (0.50) LMNASMN1; SMN2ALDH1A1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2016-11-17 US disclosed
US-20160333050-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2016-11-17 US disclosed
US-9376467-B2 Cross-linked peptides containing non-peptide cross-linked structure, method for synthesizing cross-linked peptides, and novel organic compound used in method JITSUBO CO., LTD. (JP) 2016-06-28 US disclosed
US-9365615-B2 Cross-linked peptides containing non-peptide cross-linked structure, method for synthesizing cross-linked peptides, and novel organic compound used in method JITSUBO CO., LTD. (JP) 2016-06-14 US disclosed
US-20150168420-A1 BIOORTHOGONAL CHEMICAL INDUCERS OF REVERSIBLE DIMERIZATION FOR CONTROL OF PROTEIN FUNCTION IN CELLS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-06-18 US disclosed
US-20150168420-A1 BIOORTHOGONAL CHEMICAL INDUCERS OF REVERSIBLE DIMERIZATION FOR CONTROL OF PROTEIN FUNCTION IN CELLS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-06-18 US disclosed
US-20150073121-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2015-03-12 US disclosed
US-8623340-B2 Omega-cyclohexylalkan-1-oles and use thereof as antimicrobial actives to combat body odor SYMRISE AG (DE) 2014-01-07 US disclosed
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2012-05-03 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 (5 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-20160333050-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 LMNA 3655/4885SMN1; SMN2 4139/4885ALDH1A1 4550/4885
US-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 LMNA 3655/4885SMN1; SMN2 4139/4885ALDH1A1 4550/4885
US-20150073121-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 LMNA 3655/4885SMN1; SMN2 4139/4885ALDH1A1 4550/4885
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR ALOX12, ALOX15, ALOX15B LMNA 3689/4885SMN1; SMN2 3775/4885ALDH1A1 123/4885
US-20150168420-A1 BIOORTHOGONAL CHEMICAL INDUCERS OF REVERSIBLE DIMERIZATION FOR CONTROL OF PROTEIN FUNCTION IN CELLS FKBP2, FKBP3, FKBP14 LMNA 4720/4885SMN1; SMN2 4833/4885ALDH1A1 3989/4885

“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.