SCHEMBL6433135

SCHEMBL6433135

COCOc1ccc(C2CCC3(CC2)OCCO3)c(OCOC)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
PTPN1 P18031 1/20 0.35
ROR1 Q01973 1/20 0.35
NPY1R P25929 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL6434923 0.79 ROR1 (0.36) ALDH1A1PTPN1ROR1NPY1RCYP19A1
SCHEMBL613626 0.78 ROR1 (0.36) ALDH1A1PTPN1ROR1NPY1RF2RL3
SCHEMBL6433053 0.76 ROR1 (0.40) PDE10APTPN1ROR1NPY1RCYP19A1
SCHEMBL6437802 0.75 ALDH1A1 (0.36) PDE10AALDH1A1POLBPTPN1ROR1
SCHEMBL6433066 0.74 SCN9A (0.34) PTPN1ROR1NPY1R
SCHEMBL615752 0.74 ROR1 (0.37) ALDH1A1PTPN1ROR1CYP19A1
SCHEMBL615753 0.74 ROR1 (0.37) ALDH1A1PTPN1ROR1CYP19A1
SCHEMBL6439221 0.73 ROR1 (0.36) ALDH1A1ROR1CYP19A1
SCHEMBL6434408 0.72 ROR1 (0.35) ALDH1A1PTPN1ROR1NPY1RCYP19A1
SCHEMBL6438560 0.72 ROR1 (0.41) PDE10APTPN1ROR1CYP19A1

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 13 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-6797731-B2 USE AS SKIN LIGHTENING AGENTS PFIZER INC. 2004-09-28 US disclosed
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 US disclosed
EP-1318974-A2 RESORCINOL DERIVATIVES Pfizer Products Inc. (US) 2003-06-18 EP disclosed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US disclosed
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 US disclosed
WO-2002024613-A2 RESORCINOL DERIVATIVES PFIZER PRODUCTS, INC. (US) 2002-03-28 WO disclosed
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP disclosed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO 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 (4 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 PDE10A 2421/4885GRIN1 2588/4885GRIN2B 3657/4885
US-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 PDE10A 2443/4885GRIN1 2447/4885GRIN2B 3546/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 PDE10A 2421/4885GRIN1 2588/4885GRIN2B 3657/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 PDE10A 2443/4885GRIN1 2447/4885GRIN2B 3546/4885

“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.