SCHEMBL3113016

SCHEMBL3113016

O=Cc1ccc(OCCCCCCCCCCOc2ccc(C=O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPT P10636 2/20 0.67
HPGD P15428 2/20 0.67
LMNA P02545 2/20 0.67
KDM4E B2RXH2 2/20 0.53
CYP2A6 P11509 1/20 0.52
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A3 P47895 1/20 0.47
ALB P02768 1/20 0.46
KCNA3 P22001 1/20 0.46
STS P08842 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
APP P05067 3/20 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
SCHEMBL7364818 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL3696420 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8205008 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8192951 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8549614 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8374769 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8373486 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8315263 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8373505 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8551794 0.98 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883931-B2 Polynitrones and use thereof for cross-linking unsaturated polymers HEINRICH-HEINE-UNIVERSITAT (DE) 2014-11-11 US disclosed
US-20130018140-A1 N-BRIDGED POLYNITRONS AND THE USE THEREOF AS CROSS-LINKING AGENTS, IN PARTICULAR IN COATING MATERIALS AND ADHESIVES DICKMEIS MARCUS (DE) 2013-01-17 US disclosed
US-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS HEINRICH-HEINE-UNIVERSITÄT (DE) 2010-10-28 US disclosed
EP-0802199-B1 Covalently bound dimers of glycopeptide antibiotics LILLY CO ELI (US) 1999-12-08 EP disclosed
EP-0801075-B1 Covalently linked dimers of glycopeptide antibiotics LILLY CO ELI (US) 1999-07-07 EP disclosed
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed
US-5191059-A Isoquinoline-containing poly(Reissert compounds) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1993-03-02 US disclosed
US-5169973-A Synthesis of alpha-aminonitriles VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1992-12-08 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 (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-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS PNN, MNAT1, NCL ALDH1A1 859/4885SMN1; SMN2 142/4885MAPT 220/4885
US-20130018140-A1 N-BRIDGED POLYNITRONS AND THE USE THEREOF AS CROSS-LINKING AGENTS, IN PARTICULAR IN COATING MATERIALS AND ADHESIVES PNN, PARN, NCLN ALDH1A1 1538/4885SMN1; SMN2 1718/4885MAPT 78/4885

“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.