SCHEMBL4115604

SCHEMBL4115604

CCC[C@@H]1CC[C@@H](CCC)N1C(=O)Cn1c2c(c3ccc(OC)cc31)CCC(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTNR1B P49286 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
CNR2 P34972 3/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
PDE5A O76074 3/20 0.33
CNR1 P21554 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CBX7 O95931 1/20 0.33
CDYL2 Q8N8U2 1/20 0.33
CDYL Q9Y232 1/20 0.33

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
SCHEMBL4115615 1.00 KDM4E (0.38) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4115609 1.00 KDM4E (0.38) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4120023 1.00 KDM4E (0.38) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4116751 0.86 HSD17B10 (0.45) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4096199 0.86 HSD17B10 (0.45) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4096195 0.86 HSD17B10 (0.45) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4116759 0.86 HSD17B10 (0.45) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4117732 0.82 AKR1B1 (0.47) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4109394 0.80 KDM4E (0.48) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4110870 0.80 KDM4E (0.48) KDM4EALDH1A1MAPK1HTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802300-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-05-27 EP claimed
EP-1802300-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP claimed
WO-2006044232-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 WO claimed
US-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-04-24 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 (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-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNH2, KCNN1, KCNH3 KDM4E 1326/4885ALDH1A1 979/4885MAPK1 512/4885

“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.