SCHEMBL6433631

SCHEMBL6433631

COCOc1ccc(C2=CC(=NO)CCC2)c(OCOC)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.34
FYN P06241 1/20 0.32
CYP19A1 P11511 1/20 0.32
ROR1 Q01973 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
APP P05067 1/20 0.30
MAPT P10636 1/20 0.30
SNCA P37840 1/20 0.30

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
SCHEMBL6433623 1.00 EGFR (0.34) EGFRFYNCYP19A1ROR1KMT2A
SCHEMBL7706809 0.84 PTGS2 (0.34) EGFRALDH1A1MAPT
SCHEMBL6433580 0.82 EGFR (0.37) EGFRFYNCYP19A1ROR1KMT2A
SCHEMBL6437081 0.77 ROR1 (0.38) EGFRFYNCYP19A1ROR1KMT2A
SCHEMBL6433625 0.69 PTGS2 (0.50) ALDH1A1MAPT
SCHEMBL617293 0.68 CCNT1 (0.35) EGFRFYNCYP19A1ROR1
SCHEMBL14514650 0.68 SLC6A3 (0.50) EGFRFYN
SCHEMBL616426 0.66 ROR1 (0.32) EGFRFYNCYP19A1ROR1
SCHEMBL616433 0.66 ROR1 (0.38) EGFRFYNCYP19A1ROR1ALDH1A1
SCHEMBL616646 0.66 ROR1 (0.38) EGFRFYNCYP19A1ROR1ALDH1A1

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 EGFR 4367/4885FYN 4587/4885CYP19A1 266/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 EGFR 4367/4885FYN 4587/4885CYP19A1 266/4885

“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.