SCHEMBL12207151

SCHEMBL12207151

CC(C)C(NC(=O)N(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA4 P43681 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
POLB P06746 1/20 0.34
ACACB O00763 2/20 0.33
CAPN1 P07384 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL14277245 0.87 ALDH1A1 (0.50) ALDH1A1CHRNB2CHRNB4CHRNA4TAS1R3
SCHEMBL24567757 0.81 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4TAS1R3
SCHEMBL24571490 0.81 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4TAS1R3
SCHEMBL2625556 0.80
SCHEMBL4579056 0.78
SCHEMBL754184 0.75 ALDH1A1 (0.43) ALDH1A1POLBTSHRHPGDMAPK1
SCHEMBL12234737 0.75 ALDH1A1 (0.43) ALDH1A1CHRNB2CHRNB4CHRNA4POLB
SCHEMBL12207194 0.75 ALDH1A1 (0.43) ALDH1A1CHRNB2CHRNB4CHRNA4POLB
SCHEMBL6448881 0.75 ALDH1A1 (0.43) ALDH1A1POLBTSHRHPGDMAPK1
Benzene SCHEMBL11582269 0.74 ALDH1A1 (0.46) ALDH1A1CHRNB2CHRNB4CHRNA4ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130060013-A1 Compounds useful for treating neurodegenerative disorders SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2011-10-13 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-20130060013-A1 Compounds useful for treating neurodegenerative disorders SNCA, HTT, CLN6 ALDH1A1 588/4885CHRNB2 122/4885CHRNB4 152/4885
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS CLN6, NLN, ACHE ALDH1A1 642/4885CHRNB2 102/4885CHRNB4 129/4885

“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.