SCHEMBL18100305

SCHEMBL18100305

CCO/C(=N\c1ccccc1C)c1ccccc1/C(=N/c1ccccc1OC)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.48
▸ NOS1 P29475 2/20 0.48
▸ NOS2 P35228 2/20 0.48
▸ SIGMAR1 Q99720 3/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ PLIN1 O60240 1/20 0.40
▸ PLIN5 Q00G26 1/20 0.40
▸ ABHD5 Q8WTS1 1/20 0.40
▸ GAA P10253 2/20 0.39

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
SCHEMBL18103164 0.94 NOS3 (0.53) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL18100298 0.86 NOS3 (0.44) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL18103162 0.79 NOS3 (0.48) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL20445364 0.75 ALDH1A1 (0.43) NOS3NOS1NOS2SIGMAR1MAPT
SCHEMBL18100317 0.73 SIGMAR1 (0.39) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL18100316 0.73 MAPT (0.42) NOS3NOS1NOS2SIGMAR1GRIN2D
Hydrochloric Acid SCHEMBL11769550 0.73 NOS3 (0.46) NOS3NOS1NOS2SIGMAR1GRIN2D
Hydrochloric Acid SCHEMBL11769546 0.73 NOS3 (0.46) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL8243277 0.72 GAA (0.47) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL18100303 0.71 SIGMAR1 (0.40) NOS3NOS1NOS2SIGMAR1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280851-A1 IMINOETHER COMPOUND, POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING CARBOXYLIC ACID ESTER, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2016-09-29 — — 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-20160280851-A1 IMINOETHER COMPOUND, POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING CARBOXYLIC ACID ESTER, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE BRS3, RAD1, RAD51 NOS3 2933/4885NOS1 3561/4885NOS2 2197/4885

“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.

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