SCHEMBL4182830

SCHEMBL4182830

CCCC1CCC(CCC)N1C(=O)Cc1c(C(=O)C(C)(C)C)oc2ccc(OC)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
RAB9A P51151 6/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 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
SCHEMBL4484396 1.00 POLB (0.43) POLBRAB9AKDM4EALDH1A1NPC1
SCHEMBL4182824 1.00 POLB (0.43) POLBRAB9AKDM4EALDH1A1NPC1
SCHEMBL4484390 1.00 POLB (0.43) POLBRAB9AKDM4EALDH1A1NPC1
SCHEMBL13762383 0.86 RAB9A (0.38) RAB9ANPC1MEN1KMT2A
SCHEMBL13762288 0.86 RAB9A (0.38) RAB9ANPC1MEN1KMT2A
SCHEMBL4179901 0.82 KDM4E (0.39) POLBRAB9AKDM4EALDH1A1NPC1
SCHEMBL4181685 0.78 KDM4E (0.50) POLBRAB9AKDM4EALDH1A1NPC1
SCHEMBL4187070 0.78 KDM4E (0.52) POLBRAB9AKDM4EALDH1A1NPC1
SCHEMBL4341362 0.77 MEN1 (0.45) POLBRAB9AKDM4EALDH1A1NPC1
SCHEMBL4341364 0.77 MEN1 (0.45) POLBRAB9AKDM4EALDH1A1NPC1

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 7 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-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

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 POLB 3608/4885RAB9A 1670/4885KDM4E 1362/4885
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 POLB 3761/4885RAB9A 1961/4885KDM4E 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.