SCHEMBL6433053

SCHEMBL6433053

COCOc1ccc(C2CCC(=O)CC2)c(OCOC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.37
PDE10A Q9Y233 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
PTGDR Q13258 1/20 0.34
CYP19A1 P11511 1/20 0.34
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

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
SCHEMBL6438560 0.92 ROR1 (0.41) ROR1PTGDR2PDE10APDE4APDE4B
SCHEMBL6433011 0.84 ROR1 (0.39) ROR1PTGDR2PDE10APDE4APDE4B
SCHEMBL6434923 0.83 ROR1 (0.36) ROR1PTGDR2PTGDRCYP19A1HDAC3
SCHEMBL613626 0.82 ROR1 (0.36) ROR1PTGDR2CYP19A1PTPN1MMP2
SCHEMBL6434468 0.81 PTGDR2 (0.40) ROR1PTGDR2PTGDRCYP19A1
SCHEMBL7208759 0.81 PTGDR2 (0.44) PTGDR2OPRM1
SCHEMBL6433596 0.80 JAK2 (0.35) ROR1PTGDR2PTPN1
SCHEMBL6485919 0.78 FFAR4 (0.41) PTGDR2
SCHEMBL31019748 0.78 HRH3 (0.53) ROR1PDE4APDE4BPDE4CPDE4D
SCHEMBL6433135 0.76 PDE10A (0.39) ROR1PDE10ACYP19A1PTPN1NPY1R

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 9 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-6797731-B2 USE AS SKIN LIGHTENING AGENTS PFIZER INC. 2004-09-28 US disclosed
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 US disclosed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US disclosed
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 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 (4 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 472/4885PTGDR2 3263/4885PDE10A 2421/4885
US-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ROR1 478/4885PTGDR2 3418/4885PDE10A 2443/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ROR1 472/4885PTGDR2 3263/4885PDE10A 2421/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ROR1 478/4885PTGDR2 3418/4885PDE10A 2443/4885

“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.