SCHEMBL6433625

SCHEMBL6433625

COc1ccc(C2=CC(=NO)CCC2)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ERN1 O75460 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 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
SCHEMBL4289238 0.74 PTGS2 (0.53) PTGS2KDM4EALDH1A1HPGDHDAC4
SCHEMBL557441 0.71 PSMB5 (0.52) PTGS2KDM4EALDH1A1HPGDHDAC4
SCHEMBL8505494 0.70 PSMB5 (0.51) PTGS2KDM4EALDH1A1HPGDHDAC4
SCHEMBL9380807 0.70 PTGS2 (0.54) PTGS2KDM4EALDH1A1HPGDHDAC4
SCHEMBL6433631 0.69 EGFR (0.34) ALDH1A1MAPT
SCHEMBL6433623 0.69 EGFR (0.34) ALDH1A1MAPT
SCHEMBL7706809 0.69 PTGS2 (0.34) PTGS2KDM4EALDH1A1HPGDMAPT
SCHEMBL6433499 0.68 MAOA (0.38) ALDH1A1HPGDMAPTHTT
SCHEMBL6433495 0.68 MAOA (0.38) ALDH1A1HPGDMAPTHTT
SCHEMBL642228 0.68 HDAC4 (0.58) PTGS2KDM4EALDH1A1HPGDHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US disclosed
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed
US-6828460-B2 Containing at least one ester, oxime, sulfonamide, hydroxyamino or alkyoxyamino functionality; skin lightening agents; tyrosinase inhibitors PFIZER INC. 2004-12-07 US disclosed
US-20040209949-A1 Resorcinol derivatives BROWNING ANDREW FRANCIS (SE) 2004-10-21 US disclosed
US-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US disclosed
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP disclosed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 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 (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-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 PTGS2 442/4885KDM4E 2864/4885ALDH1A1 74/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 PTGS2 442/4885KDM4E 2864/4885ALDH1A1 74/4885

“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.