SCHEMBL20176413

SCHEMBL20176413

CNC(=O)CCCCNCCOC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KDM4E B2RXH2 6/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.39
PAOX Q6QHF9 2/20 0.38
CNR1 P21554 1/20 0.38
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL22336916 0.94 TSHR (0.48) TSHRKDM4EHPGDHTTSMN1; SMN2
SCHEMBL10044369 0.93 TSHR (0.56) TSHRKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL3538086 0.86 TSHR (0.42) TSHRKDM4EHPGDHTTSMN1; SMN2
SCHEMBL27250223 0.85 TSHR (0.47) TSHRKDM4EHPGDHTTALDH1A1
SCHEMBL20176458 0.84 PAOX (0.37) TSHRPAOXRECQLLMNANAMPT
SCHEMBL12847866 0.83 TSHR (0.53) TSHRKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL211904 0.82 ALDH1A1 (0.56) TSHRKDM4EHPGDHTTSMN1; SMN2
SCHEMBL21554109 0.81 DEGS1 (0.41) TSHRALDH1A1PAOXKMT2ALMNA
SCHEMBL20231393 0.80 ALDH1A1 (0.59) TSHRHPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL7996837 0.80 ALDH1A1 (0.59) TSHRHPGDHTTSMN1; SMN2ALDH1A1

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-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
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 TSHR 1390/4885KDM4E 2462/4885HPGD 3422/4885
US-20190337921-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 TSHR 1390/4885KDM4E 2462/4885HPGD 3422/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 TSHR 1187/4885KDM4E 1882/4885HPGD 2899/4885

“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.