SCHEMBL4697109

SCHEMBL4697109

COc1ccc2[nH]c(C(=O)C(C)(C)C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
EGLN1 Q9GZT9 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
FAAH O00519 1/20 0.44
KDM4E B2RXH2 4/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CLK1 P49759 1/20 0.41
FLT3 P36888 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL4651345 0.89 EGLN1 (0.60) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL5952797 0.87 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL27989553 0.85 PDGFRB (0.54) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL4826512 0.84 EGLN1 (0.53) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL30707805 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL14690251 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL5952886 0.80 EGLN1 (0.50) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL23745076 0.79 HRH4 (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL24198762 0.79 HRH4 (0.44) ALDH1A1MEN1KMT2AMAPTFAAH
SCHEMBL23744855 0.76 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2AMAPTEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
EP-1646614-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2008-09-10 EP disclosed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US disclosed
EP-1646614-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-04-19 EP disclosed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 ALDH1A1 2026/4885MEN1 1638/4885KMT2A 2988/4885

“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.