SCHEMBL13558669

SCHEMBL13558669

CC(C)Oc1ccc(C2OCC(C)(C)CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP11B2 P19099 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 2/20 0.38
ALDH1A3 P47895 1/20 0.37
GAA P10253 1/20 0.36
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL10761456 0.82 TSHR (0.45) SMN1; SMN2NPC1RAB9APOLBTSHR
SCHEMBL18119744 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL13558667 0.81 NPC1 (0.59) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL13651780 0.80 POLB (0.42) SMN1; SMN2NPC1RAB9APOLBTSHR
SCHEMBL12480849 0.79 TSHR (0.43) SMN1; SMN2NPC1RAB9APOLBTSHR
SCHEMBL13558668 0.77 NPC1 (0.51) SMN1; SMN2NPC1RAB9ATSHRKMT2A
SCHEMBL18119746 0.76 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL1179415 0.75 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL11460056 0.74 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL641310 0.74 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585382-B2 Composition comprising a pesticide and an acetal solvent BASF SE (DE) 2017-03-07 US disclosed
US-9585382-B2 Composition comprising a pesticide and an acetal solvent BASF SE (DE) 2017-03-07 US disclosed
EP-2701502-B1 COMPOSITION COMPRISING A PESTICIDE AND AN ACETALIC SOLVENT BASF SE (DE) 2015-08-05 EP disclosed
US-20120277101-A1 Composition Comprising a Pesticide and an Acetal Solvent BASF SE (DE) 2012-11-01 US disclosed
US-20120277101-A1 Composition Comprising a Pesticide and an Acetal Solvent BASF SE (DE) 2012-11-01 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-20120277101-A1 Composition Comprising a Pesticide and an Acetal Solvent DDT, APH1B, PRDX2 SMN1; SMN2 3127/4885NPC1 4760/4885RAB9A 3111/4885

“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.