SCHEMBL6435344

SCHEMBL6435344

O=C(NC1CCCCC1)O[C@H]1CC[C@H](c2ccc(O)cc2O)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.54
TYR P14679 3/20 0.50
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
FAAH O00519 2/20 0.41

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
SCHEMBL6435346 1.00 EPHX1 (0.54) EPHX1TYRTDP1RAB9AALDH1A1
SCHEMBL6436683 0.81 TYR (0.54) EPHX1TYR
SCHEMBL6436676 0.81 TYR (0.54) EPHX1TYR
SCHEMBL5619056 0.80 TYR (0.52) TYRALDH1A1NPC1FAAH
SCHEMBL6806377 0.78 TYR (0.58) TYRRAB9ANPC1FAAH
SCHEMBL7246057 0.78 TYR (0.56) EPHX1TYRFAAH
SCHEMBL6806375 0.78 TYR (0.58) TYRRAB9ANPC1FAAH
SCHEMBL27530472 0.77 TYR (0.60) TYRALDH1A1NPC1
SCHEMBL8083072 0.76 EPHX1 (0.92) EPHX1RAB9AALDH1A1NPC1
SCHEMBL5619910 0.76 TYR (0.54) TYR

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
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
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP claimed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO 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 EPHX1 827/4885TYR 572/4885TDP1 4016/4885
US-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR EPHX1 827/4885TYR 572/4885TDP1 4016/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 EPHX1 1049/4885TYR 9/4885TDP1 3063/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR EPHX1 827/4885TYR 572/4885TDP1 4016/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 EPHX1 1049/4885TYR 9/4885TDP1 3063/4885

“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.