SCHEMBL4696644

SCHEMBL4696644

COc1ccc2c(c1)nc(C(=O)C(C)(C)C)n2CCC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
GRM2 Q14416 1/20 0.41
DYRK1A Q13627 1/20 0.41
ACSS2 Q9NR19 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TBXA2R P21731 2/20 0.39
BRD4 O60885 1/20 0.39
GAA P10253 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4696828 0.91 MTNR1A (0.48) ALDH1A1POLBLMNAGRM2DYRK1A
SCHEMBL4697825 0.85 ALDH1A1 (0.55) ALDH1A1TDP1POLBLMNASMN1; SMN2
SCHEMBL4696393 0.84 ALDH1A1 (0.51) ALDH1A1TDP1POLBHTTTBXA2R
SCHEMBL4696102 0.81 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2HTTTBXA2R
SCHEMBL6047832 0.78 ALDH1A1 (0.45) ALDH1A1TDP1POLBLMNANPC1
SCHEMBL6047783 0.77 CNR2 (0.46) ALDH1A1TDP1POLBLMNA
SCHEMBL6047857 0.77 BRD4 (0.49) ALDH1A1HTTBRD4MTNR1AMTNR1B
SCHEMBL6047806 0.76 ALDH1A1 (0.44) ALDH1A1TDP1POLBLMNASMN1; SMN2
SCHEMBL6047794 0.76 MTNR1A (0.51) POLBLMNADYRK1ABRD4MTNR1A
SCHEMBL4696808 0.76 POLB (0.57) ALDH1A1POLBLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646614-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2008-09-10 EP claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
EP-1646614-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-04-19 EP claimed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 WO claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 ALDH1A1 2026/4885TDP1 3412/4885POLB 3975/4885

“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.