SCHEMBL21392963

SCHEMBL21392963

COc1ccc(OC)c(C2CCCN2C(=O)CCl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PPIB P23284 1/20 0.44
PPID Q08752 1/20 0.44
PPIG Q13427 1/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL31518127 0.89 MTNR1B (0.50) ALDH1A1LMNAHSP90AA1HSP90AB1PPIB
SCHEMBL31518123 0.86 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EHSP90AA1HSP90AB1
SCHEMBL31518314 0.84 FFAR4 (0.44) ALDH1A1LMNAKDM4EHSP90AA1HSP90AB1
SCHEMBL31518180 0.84 KDM4E (0.48) ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL31518279 0.81 BTK (0.47) ALDH1A1LMNAHSP90AA1HSP90AB1MAPT
SCHEMBL21392838 0.80 ROCK2 (0.52) ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL21392834 0.77 HSD17B10 (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2HSD17B10
SCHEMBL31518288 0.76 DPP4 (0.44) PPIBPPIDPPIGRAB9ASMN1; SMN2
SCHEMBL19882156 0.76 PPID (0.64) ALDH1A1PPIBPPIDPPIG
SCHEMBL13162084 0.75 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
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 (3 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 4188/4885LMNA 1016/4885KDM4E 3016/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 ALDH1A1 2969/4885LMNA 3321/4885KDM4E 210/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 ALDH1A1 4188/4885LMNA 1016/4885KDM4E 3016/4885

“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.