SCHEMBL20176146

SCHEMBL20176146

CC(C)OCCNCCCC(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 6/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.37
CACNA1G O43497 1/20 0.37

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
SCHEMBL20176149 0.87 GLA (0.54) L3MBTL1HPGDRAB9ANPC1ALDH1A1
SCHEMBL22336795 0.83 ATM (0.53) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL23735638 0.81 L3MBTL1 (0.56) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL22336615 0.81 NPC1 (0.47) KMT2AMEN1HPGDRAB9ASMN1; SMN2
SCHEMBL20176459 0.80 ATM (0.53) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL27051260 0.73 DPP4 (0.36) L3MBTL1ALDH1A1TSHRMAPT
SCHEMBL9911426 0.73 ATM (0.50) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL22336918 0.73 ALDH1A1 (0.39) L3MBTL1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL20332796 0.73 SCN5A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL19068688 0.73 EPHX2 (0.45) L3MBTL1KMT2ATDP1ALDH1A1TSHR

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-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 (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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 ATM 1164/4885L3MBTL1 1911/4885KMT2A 3295/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 ATM 721/4885L3MBTL1 1848/4885KMT2A 2884/4885

“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.