SCHEMBL17800950

SCHEMBL17800950

CC1(C)CC(NC(=O)[C@@H](N)Cc2ccc(-c3ccccc3)cc2)CC(C)(C)N1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.52
GAA P10253 1/20 0.49
EZH2 Q15910 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CTSH P09668 1/20 0.43
CYP2D6 P10635 1/20 0.43
CTSK P43235 1/20 0.43
CTSC P53634 1/20 0.43
PRCP P42785 1/20 0.42

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
SCHEMBL25060205 1.00 POLB (0.57) POLBTSHRHTTGAAEZH2
SCHEMBL6166782 0.93 POLB (0.62) POLBTSHRHTTGAAEZH2
SCHEMBL25060317 0.83 POLB (0.54) POLBTSHRHTTGAAEZH2
SCHEMBL25060405 0.83 POLB (0.46) POLBTSHRHTTGAAEZH2
SCHEMBL630660 0.82 TSHR (0.57) POLBTSHRHTTEZH2KMT2A
SCHEMBL20474616 0.80 ALDH1A1 (0.62) HTTKMT2AKDM4EMEN1CYP1A2
SCHEMBL18553983 0.80 ALDH1A1 (0.62) HTTKMT2AKDM4EMEN1CYP1A2
SCHEMBL17800948 0.80 HTT (0.47) POLBTSHRHTTGAAEZH2
SCHEMBL27414251 0.79 POLB (0.60) POLBTSHRHTTGAAEZH2
SCHEMBL27414154 0.79 POLB (0.60) POLBTSHRHTTGAAEZH2

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-9828393-B2 Silylalkyloxyaryl compounds and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-11-28 US disclosed
US-20160159832-A1 SILYLALKYLOXYARYL COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2016-06-09 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-20160159832-A1 SILYLALKYLOXYARYL COMPOUNDS AND METHODS FOR TREATING CANCER BCL3, MYLK2, BCL2L13 POLB 4178/4885TSHR 4239/4885HTT 2791/4885

“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.