SCHEMBL13558668

SCHEMBL13558668

CCOc1ccc(C2OCC(C)(C)CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NQO1 P15559 1/20 0.47
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL641310 0.84 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2TSHRCYP2C19
SCHEMBL18124438 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TSHRTDP1
SCHEMBL9778887 0.83 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2GAACYP2C19
SCHEMBL9778599 0.83 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAOAMAOB
SCHEMBL4719781 0.82 NQO1 (0.54) NPC1RAB9ASMN1; SMN2NQO1MAOA
SCHEMBL18119744 0.82 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2TDP1CYP2C19
SCHEMBL13558667 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAOAMAOB
SCHEMBL18124437 0.80 OPRM1 (0.53) NPC1RAB9ASMN1; SMN2MAOAMAOB
SCHEMBL17357104 0.80 NQO1 (0.40) NPC1RAB9ASMN1; SMN2NQO1MAOA
SCHEMBL13183274 0.80 NQO1 (0.47) NQO1MAOAMAOBTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9678249-B2 Polarizing plate protective film, polarizing plate and display device FUJIFILM CORPORATION (JP) 2017-06-13 US disclosed
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
US-20160291211-A1 POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-10-06 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 NPC1 4760/4885RAB9A 3111/4885SMN1; SMN2 3127/4885

“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.