SCHEMBL6433205

SCHEMBL6433205

COc1ccc(C2CCCC(=NO)C2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
APP P05067 1/20 0.38
MAPT P10636 1/20 0.38
SNCA P37840 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
CYP26A1 O43174 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GID4 Q8IVV7 1/20 0.35
HTR1A P08908 2/20 0.35
DRD4 P21917 2/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
HTR1E P28566 2/20 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
SCHEMBL6434367 0.85 ESR2 (0.51) ESR2MEN1KMT2AALDH1A1MAPT
SCHEMBL6434372 0.85 ESR2 (0.51) ESR2MEN1KMT2AALDH1A1MAPT
SCHEMBL6433294 0.83 ESR2 (0.47) ESR2MEN1KMT2AALDH1A1APP
SCHEMBL6433213 0.82 ESR2 (0.46) ESR2MEN1KMT2AALDH1A1MAPT
SCHEMBL6434946 0.81 PDE10A (0.41) ESR2MEN1KMT2AALDH1A1TAS1R3
SCHEMBL6434537 0.81 CA2 (0.42) MEN1KMT2AALDH1A1MAPT
SCHEMBL4609520 0.80 PTGDR2 (0.50) MEN1KMT2AALDH1A1APPMAPT
SCHEMBL4608591 0.78 PTGDR2 (0.52) MEN1KMT2AALDH1A1MAPTHTR2A
SCHEMBL6433209 0.77 ESR2 (0.38) ESR2TAS1R3TAS1R1TAS1R2DRD4
SCHEMBL6438318 0.76 ESR2 (0.51) ESR2MEN1KMT2AALDH1A1MAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US claimed
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP claimed
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 claimed
US-20040209949-A1 Resorcinol derivatives BROWNING ANDREW FRANCIS (SE) 2004-10-21 US claimed
US-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US claimed
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US disclosed
US-20050143594-A1 Process for preparing resorcinol derivatives BRADLEY STUART E (GB) 2005-06-30 US disclosed
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed
US-6861564-B2 Process for preparing resorcinol derivatives PFIZER INC. (US) 2005-03-01 US 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-20030088113-A1 Process for preparing resorcinol derivatives BRADLEY STUART EDWARD (GB) 2003-05-08 US disclosed
US-6504037-B2 Reacting a cyclohexanedione or chromene-one derivative with 1,8-diazabicyclo(5.4.0)undec-7ene WARNER-LAMBERT COMPANY 2003-01-07 US disclosed
US-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US disclosed
US-20020032352-A1 Process for preparing resorcinol derivatives PFIZER PRODUCTS INC. 2002-03-14 US disclosed
EP-1134207-A1 Process for preparing resorcinol derivatives Pfizer Products Inc. (US) 2001-09-19 EP 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 (5 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-20050143594-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR ESR2 2202/4885MEN1 1794/4885KMT2A 2666/4885
US-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR ESR2 2202/4885MEN1 1794/4885KMT2A 2666/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ESR2 426/4885MEN1 2493/4885KMT2A 2172/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR ESR2 2202/4885MEN1 1794/4885KMT2A 2666/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ESR2 426/4885MEN1 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.