SCHEMBL3228613

SCHEMBL3228613

CC(CC(O)c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.53
LMNA P02545 3/20 0.52
MAPK1 P28482 1/20 0.48
AOC3 Q16853 2/20 0.46
BCAT2 O15382 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RIPK1 Q13546 1/20 0.44
KYNU Q16719 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7125053 1.00 APAF1 (0.53) APAF1LMNAMAPK1AOC3BCAT2
SCHEMBL7127998 1.00 APAF1 (0.53) APAF1LMNAMAPK1AOC3BCAT2
SCHEMBL25712023 0.83 KYNU (0.68) APAF1LMNAKDM4ERAB9AKYNU
SCHEMBL23894335 0.82 TRPA1 (0.57) APAF1LMNAMAPK1AOC3CYP2D6
SCHEMBL12228632 0.82 APAF1 (0.55) APAF1LMNAMAPK1CYP2D6SRC
Acetic Acid SCHEMBL18759625 0.81 LMNA (0.58) LMNAMAPK1AOC3BCAT2KDM4E
SCHEMBL8935816 0.81 APAF1 (0.50) APAF1LMNAMAPK1CYP2D6SRC
SCHEMBL5861277 0.80 AOC3 (0.50) AOC3KDM4EL3MBTL1RAB9ASMN1; SMN2
SCHEMBL2872818 0.80 APAF1 (0.53) APAF1LMNAMAPK1CYP2D6SRC
SCHEMBL27564208 0.79 LMNA (0.52) LMNAMAPK1AOC3BCAT2KDM4E

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-20030096019-A1 Methods of using norfluoxetine SEPRACOR INC. 2003-05-22 US claimed
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
US-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-03-05 US disclosed
EP-0206741-B1 LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1991-04-10 EP 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 (3 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-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 APAF1 3854/4885LMNA 1730/4885MAPK1 1921/4885
US-20030096019-A1 Methods of using norfluoxetine NGF, TPH2, ALOX5 APAF1 3189/4885LMNA 3632/4885MAPK1 2441/4885
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 APAF1 3854/4885LMNA 1730/4885MAPK1 1921/4885

“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.