SCHEMBL7215779

SCHEMBL7215779

O=C(CC(c1ccncc1)c1ccncc1)OCCO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 3/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNA5 P22460 2/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
L3MBTL1 Q9Y468 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
Ethylene Glycol SCHEMBL7215786 0.78 MMP12 (0.42) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL11791386 0.76 CYP19A1 (0.50) CYP19A1MAPTLMNASLC6A2SLC6A4
SCHEMBL13318272 0.74 CA12 (0.45) CYP19A1ALDH1A1MAPTLMNAKDM4E
SCHEMBL11791397 0.72 CYP19A1 (0.47) CYP19A1ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL5720902 0.71 CYP19A1 (0.42) CYP19A1ALDH1A1LMNASLC6A2KDM4E
SCHEMBL19306154 0.71 KDM4E (0.57) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL170301 0.71 SLC6A2 (0.55) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL28172621 0.70 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1LMNAKDM4E
SCHEMBL28759435 0.70 LMNA (0.53) ALDH1A1MAPTNPSR1LMNAKDM4E
Hydrochloric Acid SCHEMBL128794 0.69 SLC6A2 (0.53) ALDH1A1LMNASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617474-B2 Reacting olefinically unsaturated compound with carbon monoxide and hydrogen in presence of polar phase comprising: a non-aqueous ionic liquid comprising quaternary ammonium and/or a quaternary phosphonium compound and catalyst; adding solvent INSTITUT FRANCAIS DU PETROLE (FR) 2003-09-09 US disclosed
US-20020099243-A1 Process for the hydroformylation of olefinically unsaturated compounds in a non-aqueous ionic solvent INSTITUT FRANCAIS DU PETROLE (FR) 2002-07-25 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-20020099243-A1 Process for the hydroformylation of olefinically unsaturated compounds in a non-aqueous ionic solvent NUDT1, PHOSPHO1, SRSF6 CYP19A1 3198/4885ALDH1A1 2394/4885MAPT 3655/4885

“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.