SCHEMBL4179939

SCHEMBL4179939

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.70
NPC1 O15118 11/20 0.70
KDM4E B2RXH2 6/20 0.70
ALDH1A1 P00352 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
RXFP1 Q9HBX9 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54
GAA P10253 1/20 0.52

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
SCHEMBL4763073 0.84 KDM4E (0.78) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL719907 0.82 KDM4E (0.76) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4191372 0.81 KDM4E (0.52) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4181685 0.80 KDM4E (0.50) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4187070 0.80 KDM4E (0.52) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11098041 0.80 NPC1 (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1473247 0.79 KDM4E (0.69) RAB9AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4181687 0.78 KDM4E (0.48) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL716903 0.78 RAB9A (0.74) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4187152 0.77 KDM4E (0.47) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 1670/4885NPC1 290/4885KDM4E 1362/4885
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 RAB9A 1961/4885NPC1 432/4885KDM4E 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.