SCHEMBL4193769

SCHEMBL4193769

CCCCN(CCC)C(=O)Cc1c(C(=O)C(C)(C)C)oc2ccc(OC)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
HPGD P15428 4/20 0.39
LMNA P02545 3/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL4195268 0.98 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4191948 0.96 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4191934 0.94 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4191386 0.89 LMNA (0.44) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4191142 0.87 KDM4E (0.41) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13762167 0.85 POLB (0.37) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4198270 0.85 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4198529 0.84 KDM4E (0.33) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4188698 0.84 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13762157 0.83 LMNA (0.37) MEN1KMT2AKDM4EALDH1A1SMN1; 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 10 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 claimed
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 US 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 MEN1 917/4885KMT2A 3038/4885KDM4E 1362/4885
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 MEN1 754/4885KMT2A 2478/4885KDM4E 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.