SCHEMBL20163383

SCHEMBL20163383

NC(=O)/C=C/CN(CCOc1ccc(I)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 7/20 0.41
PDE1B Q01064 7/20 0.41
PDE1C Q14123 7/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP10 Q53GL7 1/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
MMP2 P08253 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL20163387 1.00 PDE1A (0.41) PDE1APDE1BPDE1CRXRARXRB
SCHEMBL18260801 0.85 PDE1A (0.42) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL18260803 0.85 PDE1A (0.42) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL18260949 0.85 PDE1A (0.42) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL20163474 0.84 PDE1A (0.39) PDE1APDE1BPDE1CRXRARXRB
SCHEMBL20163478 0.84 PDE1A (0.39) PDE1APDE1BPDE1CRXRARXRB
SCHEMBL20163519 0.83 LSS (0.32)
SCHEMBL20163522 0.83 LSS (0.32)
SCHEMBL18260870 0.82 PDE1A (0.42) PDE1APDE1BPDE1CRXRARXRB
SCHEMBL20163454 0.81 HRH3 (0.41) PDE1APDE1BPDE1CKDM4EKMT2A

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 4 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
EP-3544974-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER Eisai R&D Management Co., Ltd. (JP) 2019-10-02 EP disclosed
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO 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 PDE1A 4657/4885PDE1B 4602/4885PDE1C 4810/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 PDE1A 4784/4885PDE1B 4700/4885PDE1C 4838/4885

“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.