SCHEMBL17469677

SCHEMBL17469677

CCCCOc1cc(OC)cc2c1C(=O)OC(=O)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
AHR P35869 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTPN1 P18031 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
SCHEMBL349476 0.83 ALDH1A1 (0.50) ELANESMN1; SMN2KDM4EGAAACHE
SCHEMBL19476168 0.81 HTR1A (0.40) SMN1; SMN2KDM4EGAAACHE
SCHEMBL19175981 0.80 PPARG (0.44) ACHEALDH1A1CYP1A2CYP3A4
SCHEMBL19476025 0.75 PARP10 (0.47) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL19476026 0.75 KDM4E (0.63) ELANESMN1; SMN2KDM4EGAAMAPT
SCHEMBL19476057 0.74 MAOB (0.48) PTPN1
SCHEMBL17469676 0.72 CES2 (0.40) ELANEAHRCYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL15356757 0.70 L3MBTL1 (0.66) ELANEAHRL3MBTL1KDM4EMAPT
SCHEMBL13752638 0.70 ALDH1A1 (0.49) ELANEAHRL3MBTL1KDM4EGAA
SCHEMBL2334456 0.68 METAP1 (0.57) SMN1; SMN2L3MBTL1KDM4EGAAACHE

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-20170210699-A1 PREPARATION AND BIOLOGICAL EVALUATION OF VIRIDICATUMTOXIN ANALOGS WILLIAM MARSH RICE UNIVERSITY (US) 2017-07-27 US disclosed
WO-2016014643-A1 PREPARATION AND BIOLOGICAL EVALUATION OF VIRIDICATUMTOXIN ANALOGS WILLIAM MARSH RICE UNIVERSITY (US) 2016-01-28 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-20170210699-A1 PREPARATION AND BIOLOGICAL EVALUATION OF VIRIDICATUMTOXIN ANALOGS VIP, DDOST, ANTXR2 ELANE 499/4885AHR 3608/4885CYSLTR2 3725/4885

“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.