SCHEMBL20176149

SCHEMBL20176149

CC(C)OCCNCCCC(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.54
RAB9A P51151 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.41
FKBP1A P62942 1/20 0.41
PAOX Q6QHF9 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL20176146 0.87 ATM (0.49) GLARAB9AL3MBTL1TSHRALDH1A1
SCHEMBL22336615 0.81 NPC1 (0.47) RAB9ATSHRPOLBLMNAALDH1A1
SCHEMBL7855509 0.76 L3MBTL1 (0.63) GLARAB9AL3MBTL1TSHRPOLB
SCHEMBL20332778 0.76 PAOX (0.51) CYP1A2CYP3A4CYP2C19LMNAUSP2
SCHEMBL22336914 0.74 RAB9A (0.40) RAB9AL3MBTL1CYP3A4CYP2C19TSHR
SCHEMBL20333183 0.72 TDP1 (0.44) L3MBTL1TSHRPOLBALDH1A1PAOX
SCHEMBL13055322 0.72 GLA (0.52) GLARAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL9415751 0.72 GLA (0.67) GLARAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL12580731 0.71 GLA (0.58) GLARAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL13055324 0.71 L3MBTL1 (0.48) GLARAB9AL3MBTL1CYP1A2CYP3A4

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 GLA 1179/4885RAB9A 1518/4885L3MBTL1 1911/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 GLA 928/4885RAB9A 1890/4885L3MBTL1 1848/4885

“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.