SCHEMBL20173470

SCHEMBL20173470

CC(C)(C)OC(=O)N(C/C=C/C(=O)N1CCCC1)CCOc1ccc(I)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 10/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL20173471 0.92 RAB9A (0.47) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL20173479 0.87 MEN1 (0.33) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL20163535 0.87 MEN1 (0.33) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL20163534 0.87 MEN1 (0.33) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL20163458 0.86 HRH3 (0.41) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL20163454 0.86 HRH3 (0.41) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL20173481 0.85 GPR183 (0.33) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL18261099 0.84 PDE1A (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL18260871 0.84 PDE1A (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL18260869 0.84 PDE1A (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1

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 HPGD 3422/4885ALDH1A1 1046/4885SMN1; SMN2 1207/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 HPGD 2899/4885ALDH1A1 608/4885SMN1; 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.