SCHEMBL6433596

SCHEMBL6433596

COCOc1ccc(C2CCC(=CC#N)CC2)c(OCOC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
BRCA1 P38398 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ROR1 Q01973 1/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 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
SCHEMBL6434468 0.80 PTGDR2 (0.40) ALDH1A1MAPTROR1PPARDPPARA
SCHEMBL6433053 0.80 ROR1 (0.40) ROR1PTGDR2PTPN1
SCHEMBL6434923 0.77 ROR1 (0.36) KDM4EMEN1ALDH1A1TP53MAPT
SCHEMBL613626 0.76 ROR1 (0.36) KDM4EMEN1ALDH1A1TP53MAPT
SCHEMBL6438560 0.75 ROR1 (0.41) ROR1PTGDR2PTPN1
SCHEMBL6433135 0.71 PDE10A (0.39) ALDH1A1ROR1PTPN1
SCHEMBL6433011 0.71 ROR1 (0.39) MEN1KMT2AROR1PTGDR2PTPN1
SCHEMBL6434408 0.71 ROR1 (0.35) KDM4EMEN1ALDH1A1TP53MAPT
SCHEMBL6485919 0.70 FFAR4 (0.41) PPARDPPARAPTGDR2
SCHEMBL6434856 0.70 ROR1 (0.36) ROR1

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 11 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
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 (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 JAK2 3809/4885JAK1 4477/4885TYK2 4861/4885
US-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 JAK2 3745/4885JAK1 4266/4885TYK2 4839/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 JAK2 3809/4885JAK1 4477/4885TYK2 4861/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 JAK2 3745/4885JAK1 4266/4885TYK2 4839/4885

“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.