SCHEMBL4621117

SCHEMBL4621117

CC(COCc1ccccc1)OC(C)COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
CA1 P00915 4/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
TACR1 P25103 5/20 0.50
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.44
SLC1A1 P43005 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13535468 0.93 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL12408480 0.92 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL5471268 0.86 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL21540243 0.86 KMT2A (0.55) TSHRCA1CA2CA7CA9
SCHEMBL3421333 0.86 KMT2A (0.55) TSHRCA1CA2CA7CA9
SCHEMBL16732414 0.86 KMT2A (0.55) TSHRCA1CA2CA7CA9
SCHEMBL15528126 0.84 TSHR (0.44) TSHRCA1CA2CA7CA9
SCHEMBL14453899 0.83 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL2234953 0.83 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL8644381 0.82 TSHR (0.50) TSHRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213833-A1 Methods for Obtaining Optically Active Glycidyl Ethers and Optically Active Vicinal Diols from Racemic Substrates OXRANE (UK) LTD. (GB) 2008-09-04 US disclosed
EP-1885849-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE GLYCIDYL ETHERS AND OPTICALLY ACTIVE VICINAL DIOLS FROM RACEMIC SUBSTRATES Oxyrane UK Limited (GB) 2008-02-13 EP disclosed
WO-2006109198-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE GLYCIDYL ETHERS AND OPTICALLY ACTIVE VICINAL DIOLS FROM RACEMIC SUBSTRATES OXYRANE UK LIMITED (GB) 2006-10-19 WO disclosed
EP-0636064-A4 LENSES WITH HIGH IMPACT RESISTANCE AND HIGH SCRATCH RESISTANCE. SOANE TECHNOLOGIES INC (US) 1998-07-01 EP disclosed
EP-0395583-B1 Wettable, flexible, oxygen permeable contact lens containing block copolymer polysiloxane-polyoxyalkylene backbone units CIBA GEIGY AG (CH) 1997-09-03 EP disclosed
EP-0330614-B1 Wettable, flexible, oxygen permeable, swellable contact lens containing polyoxyalkylene backbone units, and use thereof CIBA GEIGY AG (CH) 1997-06-04 EP disclosed
EP-0330615-B1 Wettable, flexible, oxygen permeable, contact lens containing polyoxyalkylene backbone units, and use thereof CIBA GEIGY AG (CH) 1995-03-15 EP disclosed
EP-0636064-A1 LENSES WITH HIGH IMPACT RESISTANCE AND HIGH SCRATCH RESISTANCE SOANE TECHNOLOGIES INC. (US) 1995-02-01 EP disclosed
EP-0330618-B1 Wettable, rigid gas permeable, substantially non-swellable contact lens CIBA GEIGY AG (CH) 1994-11-09 EP disclosed
US-5278243-A Polysiloxanes SOANE TECHNOLOGIES, INC. (US) 1994-01-11 US disclosed
EP-0330615-A2 Wettable, flexible, oxygen permeable, contact lens containing polyoxyalkylene backbone units, and use thereof CIBA-GEIGY AG (CH) 1989-08-30 EP disclosed
EP-0330617-A1 Wettable, flexible, oxygen permeable contact lens containing block copolymer polysiloxane-polyoxyalkylene backbone units CIBA-GEIGY AG (CH) 1989-08-30 EP disclosed
US-4857606-A Wettable, flexible, oxygen permeable, substantially non-swellable contact lens containing polyoxyalkylene backbone units, and use thereof CIGA-GEIGY CORPORATION (US) 1989-08-15 US disclosed
US-4780488-A INTRAOCULAR LENSES CIBA-GEIGY CORPORATION (US) 1988-10-25 US disclosed
EP-0267158-A1 Substantially non-swellable contact lens containing block copolymer polysiloxane-polyoxyalkylene backbone units CIBA-GEIGY AG (CH) 1988-05-11 EP disclosed
US-4740533-A Wettable, flexible, oxygen permeable, substantially non-swellable contact lens containing block copolymer polysiloxane-polyoxyalkylene backbone units, and use thereof CIBA-GEIGY CORPORATION (US) 1988-04-26 US disclosed
EP-0263061-A2 Substantially non-swellable contact lens containing polyoxyalkylene backbone units CIBA-GEIGY AG (CH) 1988-04-06 EP disclosed
US-4256900-A Fluorescent azolyl benzocoumarin dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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 (1 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-20080213833-A1 Methods for Obtaining Optically Active Glycidyl Ethers and Optically Active Vicinal Diols from Racemic Substrates GALE, DERA, GNE TSHR 4775/4885CA1 1973/4885CA2 1736/4885

“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.