SCHEMBL21586237

SCHEMBL21586237

CCOC(=O)c1c(O)nn2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
KDM4E B2RXH2 10/20 0.50
ALDH1A1 P00352 9/20 0.50
HPGD P15428 6/20 0.50
GAA P10253 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
IDO1 P14902 2/20 0.50
MAPK1 P28482 1/20 0.50
HBB P68871 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49

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
SCHEMBL956204 0.87 EGFR (0.55) EGFRKDM4EALDH1A1HPGDGAA
SCHEMBL1780786 0.84 EGFR (0.53) EGFRKDM4EALDH1A1HPGDGAA
SCHEMBL16764335 0.84 TSHR (0.53) EGFRKDM4EALDH1A1HPGDGAA
SCHEMBL21586246 0.83 EGFR (0.52) EGFRKDM4EALDH1A1HPGDGAA
SCHEMBL38666490 0.83 EGFR (0.52) EGFRKDM4EALDH1A1HPGDGAA
SCHEMBL16674798 0.82 EGFR (0.51) EGFRKDM4EALDH1A1HPGDGAA
SCHEMBL30957108 0.82 ALDH1A1 (0.65) EGFRKDM4EALDH1A1HPGDGAA
SCHEMBL13860649 0.82 EGFR (0.78) EGFRKDM4EALDH1A1HPGDGAA
SCHEMBL10931099 0.82 EGFR (0.51) EGFRKDM4EALDH1A1HPGDGAA
SCHEMBL21586244 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDGAAMEN1

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
US-12162877-B2 Human dihydroorotate dehydrogenase (hDHODH) inhibitors and their use in targeting oncological diseases sensitive to pyrimidine starvation DRUG DISCOVERY AND CLINIC S.R.L. (IT) 2024-12-10 US disclosed
WO-2024153155-A1 DOUBLE-HETEROCYCLIC WRN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都微芯药业有限公司 2024-07-25 WO disclosed
US-20210230156-A1 NOVEL HUMAN DIHYDROOROTATE DEHYDROGENASE (hDHODH) INHIBITORS AND THEIR USE IN TARGETING ONCOLOGICAL DISEASES SENSITIVE TO PYRIMIDINE STARVATION DRUG DISCOVERY AND CLINIC S.R.L. (IT) 2021-07-29 US disclosed
EP-3802527-A1 NOVEL HUMAN DIHYDROOROTATE DEHYDROGENASE (HDHODH) INHIBITORS AND THEIR USE IN TARGETING ONCOLOGICAL DISEASES SENSITIVE TO PYRIMIDINE STARVATION Boschi, Donatella (IT) 2021-04-14 EP disclosed
WO-2019234186-A1 NOVEL HUMAN DIHYDROOROTATE DEHYDROGENASE (HDHODH) INHIBITORS AND THEIR USE IN TARGETING ONCOLOGICAL DISEASES SENSITIVE TO PYRIMIDINE STARVATION BOSCHI DONATELLA (IT) 2019-12-12 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 (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-12162877-B2 Human dihydroorotate dehydrogenase (hDHODH) inhibitors and their use in targeting oncological diseases sensitive to pyrimidine starvation DHODH, DLD, DPYD EGFR 1575/4885KDM4E 833/4885ALDH1A1 661/4885
US-20210230156-A1 NOVEL HUMAN DIHYDROOROTATE DEHYDROGENASE (hDHODH) INHIBITORS AND THEIR USE IN TARGETING ONCOLOGICAL DISEASES SENSITIVE TO PYRIMIDINE STARVATION DHODH, DLD, DPYD EGFR 1825/4885KDM4E 763/4885ALDH1A1 624/4885

“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.