SCHEMBL6438560

SCHEMBL6438560

COCOc1ccc(C2CCC(=O)C2)c(OCOC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 1/20 0.41
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE10A Q9Y233 2/20 0.38
CYP19A1 P11511 2/20 0.35
PTPN1 P18031 1/20 0.34
HPGD P15428 1/20 0.34
OPRM1 P35372 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GRM7 Q14831 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL6433011 0.92 ROR1 (0.39) ROR1PDE4APDE4BPDE4CPDE4D
SCHEMBL6433053 0.92 ROR1 (0.40) ROR1PDE4APDE4BPDE4CPDE4D
SCHEMBL6434408 0.80 ROR1 (0.35) ROR1CYP19A1PTPN1PTGDR2FYN
SCHEMBL6434923 0.78 ROR1 (0.36) ROR1CYP19A1PTPN1PTGDR2HDAC3
SCHEMBL613626 0.77 ROR1 (0.36) ROR1CYP19A1PTPN1PTGDR2FYN
SCHEMBL6435273 0.77 PTPN1 (0.36) ROR1CYP19A1PTPN1PTGDR2
SCHEMBL6434468 0.77 PTGDR2 (0.40) ROR1CYP19A1PTGDR2
SCHEMBL6435274 0.77 PTPN1 (0.36) ROR1CYP19A1PTPN1PTGDR2
SCHEMBL6433596 0.75 JAK2 (0.35) ROR1PTPN1PTGDR2
SCHEMBL6485919 0.73 FFAR4 (0.41) PTGDR2

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-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

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 ROR1 472/4885PDE4A 591/4885PDE4B 647/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ROR1 472/4885PDE4A 591/4885PDE4B 647/4885

“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.