SCHEMBL6435274

SCHEMBL6435274

COCOc1ccc(C2CCCC(=NO)C2)c(OCOC)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
ROR1 Q01973 1/20 0.33
ESR2 Q92731 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
CYP19A1 P11511 1/20 0.31
KMT2A Q03164 1/20 0.30
PTGDR Q13258 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP10 Q53GL7 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
SCHEMBL6435273 1.00 PTPN1 (0.36) PTPN1ROR1ESR2PTGDR2CYP19A1
SCHEMBL6434408 0.82 ROR1 (0.35) PTPN1ROR1PTGDR2CYP19A1KMT2A
SCHEMBL6433011 0.82 ROR1 (0.39) PTPN1ROR1PTGDR2CYP19A1KMT2A
SCHEMBL6438560 0.77 ROR1 (0.41) PTPN1ROR1PTGDR2CYP19A1
SCHEMBL6433205 0.74 ESR2 (0.43) ESR2PTGDR2KMT2A
SCHEMBL6433213 0.74 ESR2 (0.46) ESR2KMT2A
SCHEMBL6437915 0.74 PARP15 (0.36) PTPN1ROR1ESR2PTGDR2PTGDR
SCHEMBL6433053 0.74 ROR1 (0.40) PTPN1ROR1PTGDR2CYP19A1PTGDR
SCHEMBL6434678 0.73 ADORA2A (0.35) ROR1PTGDR2KMT2APARP15PARP10
SCHEMBL6434923 0.73 ROR1 (0.36) PTPN1ROR1PTGDR2CYP19A1KMT2A

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 PTPN1 4442/4885ROR1 472/4885ESR2 426/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 PTPN1 4442/4885ROR1 472/4885ESR2 426/4885

“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.