SCHEMBL6437628

SCHEMBL6437628

CC1(O)CCCC(c2ccc(O)cc2O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
ESR2 Q92731 2/20 0.41
ENTPD5 O75356 2/20 0.39
SHBG P04278 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PDE10A Q9Y233 1/20 0.37
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 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
Chloromethane SCHEMBL7706796 0.96 TRPA1 (0.49) TRPA1ESR2ENTPD5SHBGCNR1
SCHEMBL7706797 0.93 TRPA1 (0.47) TRPA1ESR2ENTPD5SHBGCNR1
SCHEMBL6433469 0.81 ESR2 (0.59) ESR2ENTPD5SHBGNPC1KDM4E
SCHEMBL6433472 0.81 ESR2 (0.59) ESR2ENTPD5SHBGNPC1KDM4E
SCHEMBL6433935 0.80 OPRK1 (0.35) ESR2ENTPD5SHBGOPRK1ESR1
SCHEMBL6436247 0.79 ESR2 (0.45) ESR2ENTPD5SHBGNPC1KDM4E
SCHEMBL29871375 0.76 ALDH1A1 (0.43) ESR2ALDH1A1GAAMAPTHPGD
SCHEMBL3162433 0.76 ALDH1A1 (0.43) ESR2ALDH1A1GAAMAPTHPGD
SCHEMBL19892266 0.75 ALDH1A1 (0.46) ESR2ALDH1A1MAPTESR1HSP90AA1
SCHEMBL5935862 0.75 ALDH1A1 (0.46) ESR2ALDH1A1MAPTESR1HSP90AA1

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 18 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
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-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP disclosed
CN-1325838-A Preparation of resoreinol derivative PFIZER (US) 2001-12-12 CN disclosed
EP-1134207-A1 Process for preparing resorcinol derivatives Pfizer Products Inc. (US) 2001-09-19 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-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR TRPA1 4738/4885ESR2 2202/4885ENTPD5 1349/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 TRPA1 1220/4885ESR2 426/4885ENTPD5 2012/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR TRPA1 4738/4885ESR2 2202/4885ENTPD5 1349/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 TRPA1 1220/4885ESR2 426/4885ENTPD5 2012/4885

“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.