SCHEMBL6437898

SCHEMBL6437898

COCOc1ccc(C2CCCC(NC(C)=O)C2)c(OCOC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 3/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM5 P41594 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL6434910 0.86 CNR2 (0.33) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6434913 0.86 CNR2 (0.33) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6434919 0.86 CNR2 (0.33) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6433478 0.83 GLA (0.35) MEN1KMT2AKDM4EALDH1A1GSK3A
SCHEMBL6437950 0.81 PTGDR2 (0.40) MTNR1AMTNR1BALDH1A1PTGDR2
SCHEMBL6485121 0.80 POLB (0.36) MTNR1AMTNR1BSMN1; SMN2ALDH1A1PTGDR2
SCHEMBL6435769 0.80 PARP15 (0.38) SMN1; SMN2ALDH1A1PTGDR2RAB9A
SCHEMBL6434817 0.79 MTNR1A (0.40) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL6437915 0.78 PARP15 (0.36) CYP3A4PTGDR2
SCHEMBL6434678 0.78 ADORA2A (0.35) MEN1KMT2AKDM4EALDH1A1CCNT1

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 197/4885MTNR1B 188/4885MEN1 2493/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 MTNR1A 197/4885MTNR1B 188/4885MEN1 2493/4885

“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.