SCHEMBL6433580

SCHEMBL6433580

COCOc1ccc(C2=CC(=O)CCC2)c(OCOC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.37
ROR1 Q01973 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 2/20 0.35
MAOA P21397 6/20 0.34
MAOB P27338 6/20 0.34
FYN P06241 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL6437081 0.92 ROR1 (0.38) EGFRROR1MEN1KMT2ACYP19A1
SCHEMBL6433623 0.82 EGFR (0.34) EGFRROR1MEN1KMT2ACYP19A1
SCHEMBL6433631 0.82 EGFR (0.34) EGFRROR1MEN1KMT2ACYP19A1
SCHEMBL7708733 0.82 MAPT (0.38) EGFRMEN1KMT2AL3MBTL1
SCHEMBL7706105 0.73 KCNN4 (0.39) EGFRL3MBTL1
SCHEMBL617293 0.72 CCNT1 (0.35) EGFRROR1CYP19A1FYN
SCHEMBL14514650 0.72 SLC6A3 (0.50) EGFRFYN
SCHEMBL20569292 0.71 MAOB (0.63) MAOAMAOB
SCHEMBL616433 0.69 ROR1 (0.38) EGFRROR1CYP19A1FYNHDAC3
SCHEMBL616426 0.69 ROR1 (0.32) EGFRROR1CYP19A1FYN

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 4367/4885ROR1 472/4885MEN1 2493/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 EGFR 4367/4885ROR1 472/4885MEN1 2493/4885

“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.