SCHEMBL4307241

SCHEMBL4307241

CC(C)c1cc2ccccc2n(CC(=O)O)c1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
APEX1 P27695 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CCR2 P41597 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL13912956 0.80 MAPT (0.46) CCR2
SCHEMBL6279039 0.78 L3MBTL1 (0.59) L3MBTL1APEX1MEN1KMT2AKDM4E
SCHEMBL4308759 0.77 L3MBTL1 (0.55) L3MBTL1APEX1MEN1KMT2AKDM4E
SCHEMBL4308750 0.77 L3MBTL1 (0.66) L3MBTL1APEX1MEN1KMT2AKDM4E
SCHEMBL9496407 0.75 DAO (0.47) MEN1KMT2AKDM4EHTT
SCHEMBL3067363 0.75 L3MBTL1 (0.64) L3MBTL1APEX1MEN1KMT2AKDM4E
SCHEMBL18180193 0.74 APEX1 (0.77) APEX1MEN1KMT2AKDM4EGLA
SCHEMBL21359604 0.74 L3MBTL1 (0.57) L3MBTL1APEX1KDM4ECCR2
SCHEMBL7463101 0.73 CCR2 (0.71) L3MBTL1APEX1MEN1KMT2AKDM4E
SCHEMBL19737524 0.73 DAO (0.59) MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 WO 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 L3MBTL1 4741/4885APEX1 3671/4885MEN1 984/4885

“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.