SCHEMBL23364530

SCHEMBL23364530

COC(=O)c1cc(OC)c(OC)cc1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.58
ALDH1A1 P00352 9/20 0.57
TSHR P16473 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
PRKDC P78527 2/20 0.52
POLB P06746 3/20 0.49
ERN1 O75460 3/20 0.47
HSD17B10 Q99714 5/20 0.46
MAPT P10636 4/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
HPGD P15428 4/20 0.45
GAA P10253 3/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL16820555 0.88 KDM4E (0.49) KDM4EALDH1A1TSHRTDP1PRKDC
SCHEMBL34465527 0.86 KDM4E (0.46) KDM4EALDH1A1TSHRTDP1PRKDC
SCHEMBL4169467 0.83 ALDH1A1 (0.59) KDM4EALDH1A1TSHRTDP1PRKDC
SCHEMBL19990752 0.82 ERN1 (0.44) KDM4EALDH1A1TSHRPOLBERN1
SCHEMBL7378524 0.82 KDM4E (0.73) KDM4EALDH1A1TSHRPOLBHSD17B10
SCHEMBL17185408 0.81 KDM4E (0.52) KDM4EALDH1A1TSHRTDP1PRKDC
SCHEMBL20379968 0.80 GAA (0.44) KDM4EALDH1A1TSHRTDP1PRKDC
SCHEMBL17632541 0.80 ALDH1A1 (0.50) KDM4EALDH1A1TSHRTDP1POLB
SCHEMBL4228186 0.80 PRKDC (0.64) KDM4EALDH1A1TSHRTDP1PRKDC
SCHEMBL4117648 0.79 ALDH1A1 (0.44) KDM4EALDH1A1TSHRPOLBERN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461640-B LPAR1 inhibitor, medical application and preparation method thereof 中央民族大学 2023-08-11 CN disclosed
WO-2023116902-A1 SOS1 INHIBITOR 北京望实智慧科技有限公司 2023-06-29 WO disclosed
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-19 US disclosed
CN-113461640-A LPAR1 inhibitor, medical application and preparation method thereof 中央民族大学 2021-10-01 CN disclosed
WO-2021097075-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-05-20 WO 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 (1 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-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HCCS KDM4E 1888/4885ALDH1A1 3200/4885TSHR 4408/4885

“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.