SCHEMBL2117075

SCHEMBL2117075

C=CC(=O)OC1CCOC(=O)CC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL1899139 0.85 CYP1A2 (0.33)
SCHEMBL1897077 0.85 CYP2D6 (0.32)
SCHEMBL31238662 0.79 MEN1 (0.30)
SCHEMBL8033787 0.78 TSHR (0.34) ALDH1A1LMNATP53TSHRCA1
SCHEMBL342605 0.77 KAT2B (0.35) ALDH1A1TP53TSHR
SCHEMBL723974 0.75 KMT2A (0.43) ALDH1A1LMNA
SCHEMBL12634649 0.74 ELANE (0.34) ALDH1A1LMNATP53TSHRCA1
SCHEMBL12634648 0.74 POLB (0.34) ALDH1A1LMNATP53TSHRCA1
SCHEMBL321481 0.74 TSHR (0.36) ALDH1A1LMNATP53TSHR
SCHEMBL34965 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445479-B1 ORAL CARE COMPOSITIONS COMPRISING A POLYMERIC DYE UNILEVER PLC (GB) 2016-09-07 EP disclosed
US-9138600-B2 Oral care compositions comprising a polymeric dye CONOPCO, INC. (US) 2015-09-22 US disclosed
WO-2013019658-A2 SYNTHETIC NANOCARRIERS COMPRISING POLYMERS COMPRISING MULTIPLE IMMUNOMODULATORY AGENTS SELECTA BIOSCIENCES, INC. (US) 2013-02-07 WO disclosed
US-20130028857-A1 SYNTHETIC NANOCARRIERS COMPRISING POLYMERS COMPRISING MULTIPLE IMMUNOMODULATORY AGENTS SELECTA BIOSCIENCES, INC. (US) 2013-01-31 US disclosed
US-20130028857-A1 SYNTHETIC NANOCARRIERS COMPRISING POLYMERS COMPRISING MULTIPLE IMMUNOMODULATORY AGENTS SELECTA BIOSCIENCES, INC. (US) 2013-01-31 US disclosed
CN-102548531-A Oral care compositions comprising a polymeric dye UNILEVER NV 2012-07-04 CN disclosed
EP-1532197-B1 METHOD OF SOLDERING A POLYMER SURFACE WITH AN ELECTRICALLY CONDUCTIVE OR SEMICONDUCTIVE SURFACE AND APPLICATIONS OF SAME COMMISSARIAT ENERGIE ATOMIQUE (FR) 2012-06-13 EP disclosed
US-20120093905-A1 ORAL CARE COMPOSITIONS COMPRISING A POLYMERIC DYE CONOPCO, INC., D/B/A UNILEVER 2012-04-19 US disclosed
US-20040144655-A1 Process for depositing strong adherend polymer coating onto an electrically conductive surface UNIVERSITE DE LIEGE (BE) 2004-07-29 US disclosed
EP-1425315-A2 PROCESS FOR DEPOSITING STRONG ADHEREND POLYMER COATING ONTO AN ELECTRICALLY CONDUCTIVE SURFACE University of Liege (BE) 2004-06-09 EP disclosed
WO-2002098926-A2 PROCESS FOR DEPOSITING STRONG ADHEREND POLYMER COATING ONTO AN ELECTRICALLY CONDUCTIVE SURFACE UNIVERSITE DE LIEGE (BE) 2002-12-12 WO 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-20120093905-A1 ORAL CARE COMPOSITIONS COMPRISING A POLYMERIC DYE FHIT, KRTCAP2, DSC1 ALDH1A1 3164/4885LMNA 806/4885TP53 1564/4885
US-20130028857-A1 SYNTHETIC NANOCARRIERS COMPRISING POLYMERS COMPRISING MULTIPLE IMMUNOMODULATORY AGENTS CD47, IFNG, IL2 ALDH1A1 3909/4885LMNA 4003/4885TP53 143/4885

“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.