SCHEMBL4181685

SCHEMBL4181685

COc1ccc2oc(C(=O)C(C)(C)C)c(CC(=O)C(C)(C)C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.50
SMN1; SMN2 Q16637 10/20 0.50
ALDH1A1 P00352 9/20 0.50
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
HSD17B10 Q99714 4/20 0.48
HPGD P15428 4/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
NQO1 P15559 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 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
SCHEMBL4187070 0.93 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4193680 0.91 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4191948 0.83 MEN1 (0.45) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4486505 0.83 MTNR1A (0.49) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4181687 0.83 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4187175 0.82 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4196150 0.82 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4187152 0.82 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4195268 0.81 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4193683 0.81 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664011-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-02-25 EP claimed
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 US claimed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP claimed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 WO claimed
US-7576122-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-08-18 US disclosed
US-7576122-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-08-18 US disclosed
EP-1664011-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2008-11-20 US disclosed
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2008-11-20 US disclosed
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 US disclosed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 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 (2 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-20060276504-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 KDM4E 1362/4885SMN1; SMN2 2010/4885ALDH1A1 938/4885
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 KDM4E 1431/4885SMN1; SMN2 2603/4885ALDH1A1 899/4885

“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.