SCHEMBL6434817

SCHEMBL6434817

CCNC(=O)C1CCCC(c2ccc(OCOC)cc2OCOC)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MTNR1B P49286 6/20 0.37
NQO2 P16083 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 1/20 0.35
CCR8 P51685 1/20 0.35

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
SCHEMBL6485121 0.89 POLB (0.36) MTNR1AALDH1A1POLBMTNR1BNQO2
SCHEMBL6435769 0.87 PARP15 (0.38) ALDH1A1POLBSMN1; SMN2
SCHEMBL6437950 0.86 PTGDR2 (0.40) MTNR1AALDH1A1POLBMTNR1B
SCHEMBL6437898 0.79 MTNR1A (0.41) MTNR1AMEN1KMT2AALDH1A1MTNR1B
SCHEMBL6434919 0.78 CNR2 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL6434910 0.78 CNR2 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL6434913 0.78 CNR2 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL6437915 0.77 PARP15 (0.36)
SCHEMBL6434678 0.76 ADORA2A (0.35) MEN1KMT2AALDH1A1MAPK1
SCHEMBL6433478 0.74 GLA (0.35) MEN1KMT2AALDH1A1HPGD

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 MTNR1A 197/4885MEN1 2493/4885KMT2A 2172/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 MTNR1A 197/4885MEN1 2493/4885KMT2A 2172/4885

“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.