SCHEMBL1333747

SCHEMBL1333747

CCC1(CO)COC(c2ccc(C(C)C)cc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SOAT1 P35610 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PIM1 P11309 1/20 0.30

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
SCHEMBL1302004 0.92 MAPK1 (0.44) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL12205336 0.83 MAPK1 (0.41) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4812907 0.81 MEN1 (0.55) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1333408 0.79 SOAT1 (0.46) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14491585 0.79 MEN1 (0.47) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14930909 0.78 MAPK1 (0.39) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL26196856 0.76 MGLL (0.33) HPGD
SCHEMBL10590917 0.74 MAPK1 (0.55) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10590472 0.74 ALDH1A1 (0.51) MAPK1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18119748 0.72 MAPK1 (0.47) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324407-B2 Alcohol compound having dioxane structure and process for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-12-04 US disclosed
US-8324407-B2 Alcohol compound having dioxane structure and process for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-12-04 US disclosed
US-8324407-B2 Alcohol compound having dioxane structure and process for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-12-04 US disclosed
EP-2392569-A1 ALCOHOL COMPOUND HAVING DIOXANE STRUCTURE AND PROCESS FOR PRODUCING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2011-12-07 EP disclosed
EP-2392569-A1 ALCOHOL COMPOUND HAVING DIOXANE STRUCTURE AND PROCESS FOR PRODUCING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2011-12-07 EP disclosed
US-20110282076-A1 ALCOHOL COMPOUND HAVING DIOXANE STRUCTURE AND PROCESS FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-11-17 US disclosed
US-20110282076-A1 ALCOHOL COMPOUND HAVING DIOXANE STRUCTURE AND PROCESS FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-11-17 US disclosed
US-20110282076-A1 ALCOHOL COMPOUND HAVING DIOXANE STRUCTURE AND PROCESS FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-11-17 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

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-20110269976-A1 GLYCOL COMPOUND HAVING DIOXANE STRUCTURE AND METHOD FOR PRODUCING THE SAME RXRA, RARA, RXRG MAPK1 2095/4885SMN1; SMN2 3861/4885NPC1 824/4885
US-20110282076-A1 ALCOHOL COMPOUND HAVING DIOXANE STRUCTURE AND PROCESS FOR PRODUCING SAME H1-0, ADH1A, RFT1 MAPK1 1445/4885SMN1; SMN2 2566/4885NPC1 1906/4885

“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.