SCHEMBL20522389

SCHEMBL20522389

OCCNc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.53
KCNH3 Q9ULD8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SCN9A Q15858 1/20 0.42
NTRK1 P04629 1/20 0.41
TOP2B Q02880 1/20 0.41
STAT3 P40763 1/20 0.40
CHRM3 P20309 2/20 0.40
CDC25A P30304 1/20 0.39
HPGD P15428 1/20 0.39
NSD2 O96028 1/20 0.39
FGB P02675 1/20 0.39
MMP14 P50281 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL31756005 1.00 QPCT (0.53) QPCTKCNH3ALDH1A1LMNAKDM4E
SCHEMBL27704232 0.85 KDM4E (0.50) ALDH1A1LMNAKDM4EGLATOP2B
SCHEMBL28823485 0.80 QPCT (0.48) QPCTALDH1A1LMNAKDM4ESLC6A4
SCHEMBL3904434 0.80 QPCT (0.49) QPCTALDH1A1LMNAKDM4ESLC6A4
SCHEMBL30610416 0.78 QPCT (0.53) QPCTALDH1A1LMNASLC6A4SLC6A3
SCHEMBL22712390 0.78 QPCT (0.53) QPCTALDH1A1LMNASLC6A4SLC6A3
Hydrazine SCHEMBL28348678 0.78 QPCT (0.50) QPCTALDH1A1LMNASLC6A4SLC6A3
SCHEMBL6571157 0.77 TDO2 (0.38) QPCTKCNH3ALDH1A1SCN9ACHRM3
SCHEMBL20522374 0.77 QPCT (0.49) QPCTALDH1A1LMNAKDM4ESLC6A4
SCHEMBL20522286 0.77 QPCT (0.50) QPCTALDH1A1LMNAKDM4ESLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384772-B2 Inhibitors VIVORYON THERAPEUTICS N.V. (DE) 2025-08-12 US disclosed
US-20220274977-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2022-09-01 US disclosed
US-11339152-B2 Inhibitors VIVORYON THERAPEUTICS N.V. 2022-05-24 US disclosed
US-20200377493-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2020-12-03 US disclosed
EP-3601269-A1 NOVEL INHIBITORS Probiodrug AG (DE) 2020-02-05 EP disclosed
WO-2018178384-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2018-10-04 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 (4 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-20200377493-A1 NOVEL INHIBITORS GLUL, GLS, QPCT QPCT 3/4885KCNH3 1601/4885ALDH1A1 1681/4885
US-11339152-B2 Inhibitors GLUL, QPCT, GLS QPCT 2/4885KCNH3 1598/4885ALDH1A1 1490/4885
US-12384772-B2 Inhibitors GLS, QPCT, GLS2 QPCT 2/4885KCNH3 2098/4885ALDH1A1 1415/4885
US-20220274977-A1 NOVEL INHIBITORS GLUL, GLS, QPCT QPCT 3/4885KCNH3 1845/4885ALDH1A1 1184/4885

“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.