SCHEMBL1302004

SCHEMBL1302004

CC(C)c1ccc(C2OCC(CO)(CO)CO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
MGLL Q99685 2/20 0.32
FKBP1A P62942 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 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
SCHEMBL1333747 0.92 MAPK1 (0.41) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL12205336 0.87 MAPK1 (0.41) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14491585 0.86 MEN1 (0.47) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14930909 0.85 MAPK1 (0.39) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10590472 0.81 ALDH1A1 (0.51) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10590917 0.81 MAPK1 (0.55) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL17693567 0.78 MEN1 (0.40) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13684910 0.78 MEN1 (0.40) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL744431 0.78 MEN1 (0.62) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1304966 0.77 LMNA (0.45) MAPK1SMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9234986-B2 Polyester resin and optical lens MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-01-12 US claimed
US-20140142273-A1 POLYESTER RESIN AND OPTICAL LENS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-22 US claimed
US-20120289676-A1 POLYESTER RESIN AND OPTICAL LENS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-11-15 US claimed
EP-2522687-A1 POLYESTER RESIN AND OPTICAL LENS Mitsubishi Gas Chemical Company, Inc. (JP) 2012-11-14 EP claimed
US-9234986-B2 Polyester resin and optical lens MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-01-12 US disclosed
US-8859787-B2 Glycol compound having dioxane structure and method for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-10-14 US disclosed
US-8859787-B2 Glycol compound having dioxane structure and method for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-10-14 US disclosed
US-8859787-B2 Glycol compound having dioxane structure and method for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-10-14 US disclosed
US-20140142273-A1 POLYESTER RESIN AND OPTICAL LENS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-22 US disclosed
US-8674054-B2 Polyester resin and optical lens MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-03-18 US disclosed
EP-2377857-B1 GLYCOL COMPOUND HAVING DIOXANE STRUCTURE AND MANUFACTURING METHOD THEREFOR MITSUBISHI GAS CHEMICAL CO (JP) 2013-07-31 EP disclosed
EP-2377857-B1 GLYCOL COMPOUND HAVING DIOXANE STRUCTURE AND MANUFACTURING METHOD THEREFOR MITSUBISHI GAS CHEMICAL CO (JP) 2013-07-31 EP disclosed
US-20120289676-A1 POLYESTER RESIN AND OPTICAL LENS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-11-15 US disclosed
EP-2522687-A1 POLYESTER RESIN AND OPTICAL LENS Mitsubishi Gas Chemical Company, Inc. (JP) 2012-11-14 EP disclosed
US-20110269976-A1 GLYCOL COMPOUND HAVING DIOXANE STRUCTURE AND METHOD FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-11-03 US disclosed
US-20110269976-A1 GLYCOL COMPOUND HAVING DIOXANE STRUCTURE AND METHOD FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-11-03 US disclosed
US-20110269976-A1 GLYCOL COMPOUND HAVING DIOXANE STRUCTURE AND METHOD FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-11-03 US disclosed
EP-2377857-A1 GLYCOL COMPOUND HAVING DIOXANE STRUCTURE AND MANUFACTURING METHOD THEREFOR Mitsubishi Gas Chemical Company, Inc. (JP) 2011-10-19 EP 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-20110269976-A1 GLYCOL COMPOUND HAVING DIOXANE STRUCTURE AND METHOD FOR PRODUCING THE SAME RXRA, RARA, RXRG MAPK1 2095/4885SMN1; SMN2 3861/4885NPC1 824/4885

“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.