SCHEMBL17359116

SCHEMBL17359116

CC(C)(C)C(=O)[C@H](COc1ccccc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
CYP2D6 P10635 2/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 1/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL16501753 0.80 LMNA (0.49) LMNAMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL1703530 0.78 CA1 (0.47) PPARAPPARG
SCHEMBL1705704 0.78 CA1 (0.47) PPARAPPARG
SCHEMBL13295257 0.76 LMNA (0.45) LMNAMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL1703264 0.74 MAPT (0.49) MAPTL3MBTL1PTGS1
SCHEMBL1706267 0.74 MAPT (0.49) MAPTL3MBTL1PTGS1
SCHEMBL13248656 0.73 LMNA (0.49) LMNAMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL11276637 0.73 LMNA (0.62) LMNAMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL29850617 0.72 LMNA (0.51) LMNAMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL20964385 0.72 CYP2D6 (0.49) LMNACYP2D6ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 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 (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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO LMNA 255/4885MTNR1A 779/4885MTNR1B 1504/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO LMNA 255/4885MTNR1A 779/4885MTNR1B 1504/4885

“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.