SCHEMBL6434408

SCHEMBL6434408

C=C1CCCC(c2ccc(OCOC)cc2OCOC)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 1/20 0.35
PTPN1 P18031 1/20 0.33
NPY1R P25929 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.31
FYN P06241 1/20 0.31
CYP19A1 P11511 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
BRCA1 P38398 1/20 0.30
HBB P68871 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL6433011 0.85 ROR1 (0.39) ROR1PTPN1PTGDR2KMT2AMEN1
SCHEMBL6434903 0.83 PTGDR2 (0.41) PTGDR2KMT2AMEN1
SCHEMBL6435274 0.82 PTPN1 (0.36) ROR1PTPN1PTGDR2KMT2ACYP19A1
SCHEMBL6435273 0.82 PTPN1 (0.36) ROR1PTPN1PTGDR2KMT2ACYP19A1
SCHEMBL6438560 0.80 ROR1 (0.41) ROR1PTPN1PTGDR2FYNCYP19A1
SCHEMBL6433053 0.76 ROR1 (0.40) ROR1PTPN1NPY1RPTGDR2CYP19A1
SCHEMBL6434678 0.76 ADORA2A (0.35) ROR1NPY1RPTGDR2KMT2AMEN1
SCHEMBL6434923 0.76 ROR1 (0.36) ROR1PTPN1NPY1RPTGDR2KMT2A
SCHEMBL613626 0.75 ROR1 (0.36) ROR1PTPN1NPY1RPTGDR2KMT2A
SCHEMBL6433066 0.74 SCN9A (0.34) ROR1PTPN1NPY1RPTGDR2KMT2A

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 472/4885PTPN1 4442/4885NPY1R 4089/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ROR1 472/4885PTPN1 4442/4885NPY1R 4089/4885

“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.