SCHEMBL21392984

SCHEMBL21392984

C=CC(=O)N(CCCCCC)c1cccc2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TP53 P04637 2/20 0.42
RXRA P19793 4/20 0.41
RXRB P28702 4/20 0.41
RXRG P48443 4/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PAX8 Q06710 2/20 0.39
JAK2 O60674 1/20 0.39
GPX4 P36969 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
GAA P10253 1/20 0.36
PPARG P37231 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
SCHEMBL21392988 0.80 RXRB (0.43) ALDH1A1RXRARXRBRXRGLMNA
SCHEMBL21392983 0.77 RXRB (0.52) RXRARXRBRXRG
SCHEMBL20456630 0.76 RXRA (0.49) ALDH1A1RXRARXRBRXRGLMNA
SCHEMBL31565004 0.76 RXRA (0.49) ALDH1A1RXRARXRBRXRGLMNA
SCHEMBL9980394 0.73 NPC1 (0.64) ALDH1A1TP53MEN1KMT2ATHRA
SCHEMBL29033073 0.73 NPC1 (0.64) ALDH1A1TP53MEN1KMT2ATHRA
SCHEMBL29088247 0.73 NPC1 (0.64) ALDH1A1TP53MEN1KMT2ATHRA
SCHEMBL11215834 0.71 RXRB (0.50) ALDH1A1RXRARXRBRXRGLMNA
SCHEMBL4622662 0.69 RXRB (0.40) ALDH1A1RXRARXRBRXRGLMNA
SCHEMBL2802062 0.67 NPC1 (0.55) ALDH1A1TP53MEN1KMT2ANPC1

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-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 ALDH1A1 4188/4885TP53 141/4885RXRA 2028/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 ALDH1A1 2969/4885TP53 173/4885RXRA 2823/4885

“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.