SCHEMBL6437602

SCHEMBL6437602

COCOc1ccc(C2CCCC(N3CCNCC3)C2)c(OCOC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ABCB1 P08183 1/20 0.31
NPY1R P25929 1/20 0.31
CNR2 P34972 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL6437915 0.78 PARP15 (0.36) CYP2D6NPY1RCNR2
SCHEMBL6434678 0.77 ADORA2A (0.35) KMT2AMEN1ALDH1A1NPY1RCNR2
SCHEMBL6434913 0.74 CNR2 (0.33) KMT2AMEN1CNR2SMN1; SMN2
SCHEMBL6434910 0.74 CNR2 (0.33) KMT2AMEN1CNR2SMN1; SMN2
SCHEMBL6434919 0.74 CNR2 (0.33) KMT2AMEN1CNR2SMN1; SMN2
SCHEMBL6437950 0.73 PTGDR2 (0.40) ALDH1A1
SCHEMBL6435769 0.73 PARP15 (0.38) ALDH1A1CNR2SMN1; SMN2
SCHEMBL6434817 0.72 MTNR1A (0.40) HRH3TSHRKMT2AMEN1ALDH1A1
SCHEMBL6434408 0.71 ROR1 (0.35) KMT2AMEN1ALDH1A1NPY1R
SCHEMBL6433478 0.71 GLA (0.35) KMT2AMEN1ALDH1A1HPGD

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 HRH3 446/4885CYP2D6 432/4885TSHR 3944/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 HRH3 446/4885CYP2D6 432/4885TSHR 3944/4885

“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.