SCHEMBL20163474

SCHEMBL20163474

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 7/20 0.39
PDE1B Q01064 7/20 0.39
PDE1C Q14123 7/20 0.39
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL20163478 1.00 PDE1A (0.39) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL20173462 0.85 PDE1A (0.34) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL18260949 0.84 PDE1A (0.42) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL18260801 0.84 PDE1A (0.42) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL18260803 0.84 PDE1A (0.42) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL20163467 0.84 LSS (0.33) MAPT
SCHEMBL20163473 0.84 LSS (0.33) MAPT
SCHEMBL20163383 0.84 PDE1A (0.41) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL20163387 0.84 PDE1A (0.41) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL20163437 0.82 CHRNB2 (0.30)

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.