SCHEMBL20173472

SCHEMBL20173472

CC(C)(C)OC(=O)N(C/C=C/C(=O)N1CCOCC1)CCOc1ccc(I)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.36
NPC1 O15118 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 4/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSD P07339 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
KDM4E B2RXH2 3/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.31
LIPE Q05469 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
GLA P06280 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
GABRA5 P31644 1/20 0.31
MEN1 O00255 1/20 0.30
APP P05067 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20163535 0.92 MEN1 (0.33) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL20173481 0.92 GPR183 (0.33) RAB9ANPC1SMN1; SMN2ALDH1A1GPR119
SCHEMBL20163534 0.92 MEN1 (0.33) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL20173479 0.92 MEN1 (0.33) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL20173471 0.88 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL20163347 0.87 RAB9A (0.37) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL20163344 0.87 RAB9A (0.37) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL20163447 0.83 LSS (0.36)
SCHEMBL20173480 0.82 CHEK2 (0.32)
SCHEMBL19485524 0.82 LSS (0.31)

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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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 RAB9A 1518/4885NPC1 421/4885SMN1; SMN2 1207/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 RAB9A 1890/4885NPC1 555/4885SMN1; SMN2 1687/4885

“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.