SCHEMBL21554075

SCHEMBL21554075

CC(C)OCCNCCCC(=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
EPHX2 P34913 1/20 0.33
PAOX Q6QHF9 1/20 0.33
DEGS1 O15121 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL20176156 0.87 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA4ALDH1A1PAOX
SCHEMBL22336919 0.79 ALDH1A1 (0.48) CHRNB2CHRNB4CHRNA4ALDH1A1TSHR
SCHEMBL22336918 0.78 ALDH1A1 (0.39) ALDH1A1TSHRL3MBTL1EPHX2DEGS1
SCHEMBL1375728 0.78 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA4ALDH1A1TSHR
SCHEMBL20176417 0.74 ALDH1A1 (0.43) CHRNB2CHRNB4CHRNA4ALDH1A1PAOX
SCHEMBL21554109 0.73 DEGS1 (0.41) ALDH1A1TSHRL3MBTL1EPHX2PAOX
SCHEMBL1967441 0.73 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1EPHX2HTT
SCHEMBL20176146 0.72 ATM (0.49) ALDH1A1TSHRL3MBTL1HTTSMN1; SMN2
SCHEMBL19820851 0.72 ALDH1A1 (0.39) ALDH1A1TSHRL3MBTL1EPHX2DEGS1
SCHEMBL22851385 0.72 ALDH1A1 (0.63) ALDH1A1TSHRPAOX

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-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
US-20190337921-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-07 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-20190337921-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 CHRNB2 3654/4885CHRNB4 4111/4885CHRNA4 4328/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 CHRNB2 3622/4885CHRNB4 4165/4885CHRNA4 4317/4885

“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.