SCHEMBL9682201

SCHEMBL9682201

CC(=O)OCCOc1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 4/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2A6 P11509 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
ALDH1A3 P47895 1/20 0.42

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
Propane SCHEMBL18422877 0.97 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL13547835 0.92 ALDH1A1 (0.57) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL6851329 0.90 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL6847397 0.90 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL6850263 0.90 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL20024746 0.88 PPARA (0.51) MAPTLMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL10030181 0.87 L3MBTL1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL5549982 0.85 CHRNB2 (0.51) ALDH1A1MAPTLMNAKMT2AL3MBTL1
SCHEMBL11685734 0.84 ALDH1A1 (0.50) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL6552735 0.84 POLB (0.56) ALDH1A1MAPTHPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094155-A1 INKJET INK AND COLORING COMPOSITION RICOH COMPANY, LTD. (JP) 2018-04-05 US disclosed
US-20140364519-A1 METHOD OF MAKING LIGAND FUNCTIONALIZED SUBSTRATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2014-12-11 US disclosed
EP-0464904-A2 An optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (US) 1992-01-08 EP disclosed
US-5029979-A Optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (US) 1991-07-09 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-20140364519-A1 METHOD OF MAKING LIGAND FUNCTIONALIZED SUBSTRATES SPR, SELPLG, SIGLEC7 ALDH1A1 1262/4885MAPT 4419/4885HPGD 1043/4885

“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.