SCHEMBL21654599

SCHEMBL21654599

O=C(O)/C=C/c1ccc(F)cc1-c1ccoc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
PELI1 Q96FA3 1/20 0.46
TDO2 P48775 2/20 0.45
MIF P14174 1/20 0.43
ERN1 O75460 2/20 0.39
DHODH Q02127 1/20 0.39
IDO1 P14902 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.37
METAP2 P50579 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL29030856 0.80 PTGER3 (0.55) KDM4EHTTHCAR2PELI1MAPT
SCHEMBL14919320 0.79 ERN1 (0.51) KDM4EPELI1ERN1DHODHALDH1A1
SCHEMBL21628130 0.72 EGFR (0.41) PELI1
SCHEMBL1920415 0.72 MIF (0.71) KDM4EHTTTDO2MIFALDH1A1
SCHEMBL29407005 0.72 MIF (0.71) KDM4EHTTTDO2MIFALDH1A1
SCHEMBL716629 0.72 MIF (0.71) KDM4EHTTTDO2MIFALDH1A1
SCHEMBL716630 0.72 MIF (0.71) KDM4EHTTTDO2MIFALDH1A1
SCHEMBL15630470 0.72 KEAP1 (0.46) KDM4EDHODHPTGER2METAP2ALDH1A1
SCHEMBL21052158 0.71 METAP2 (0.43) MAPTMETAP2
SCHEMBL19462971 0.71 PTGER1 (0.48) KDM4EHTTHCAR2MIFMAPT

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-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient INSTITUT PASTEUR KOREA (KR) 2021-10-19 US disclosed
US-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ST PHARM CO., LTD. (KR) 2020-01-30 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-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ZC3HAV1, ZC3HAV1L, HAVCR2 KDM4E 3325/4885HTT 1310/4885HCAR2 2106/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 KDM4E 3277/4885HTT 902/4885HCAR2 1598/4885

“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.