SCHEMBL4316465

SCHEMBL4316465

COc1ccc2nc(-c3ccc(CCCO)cc3)c(OCC(=O)O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.44
MAPK14 Q16539 1/20 0.43
PPARD Q03181 3/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
EIF4A1 P60842 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 1/20 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
SCHEMBL4311710 0.75 AKR1B10 (0.49)
SCHEMBL4307803 0.73 CYP1A2 (0.51) TP53ALDH1A1KDM4EPOLBCYP3A4
SCHEMBL4311033 0.73 LMNA (0.46) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL7632499 0.71 LTA4H (0.60) MAPTPPARDALDH1A1FFAR1
SCHEMBL2867767 0.71 MAPK14 (0.69) TP53MAPTMAPK14ALDH1A1KDM4E
SCHEMBL28458193 0.70 GPBAR1 (0.53) TP53MAPTALDH1A1KDM4EPOLB
SCHEMBL15681976 0.69 ALDH1A1 (0.66) TP53MAPTMAPK14ALDH1A1KDM4E
SCHEMBL4312795 0.69 SCD (0.43)
SCHEMBL28450170 0.69 ALDH1A1 (0.50) TP53MAPTMAPK14ALDH1A1KDM4E
SCHEMBL31070199 0.68 KDM4E (0.74) TP53MAPTMAPK14ALDH1A1KDM4E

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 TP53 4455/4885MAPT 498/4885MAPK14 1431/4885

“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.