SCHEMBL5360683

SCHEMBL5360683

O=C1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.56
TYR P14679 2/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP19A1 P11511 1/20 0.41
PBRM1 Q86U86 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL14620030 0.93 ESR2 (0.61) ESR2TYRPTGS1PTGS2CYP19A1
SCHEMBL6437245 0.89 ESR2 (0.49) ESR2TYRPTGS1PTGS2CYP19A1
SCHEMBL19249421 0.84 TYR (0.48) ESR2TYRPTGS1PTGS2CYP19A1
SCHEMBL6437932 0.82 ESR2 (0.45) ESR2TYRKDM4ENPC1USP2
SCHEMBL5619303 0.81 ESR2 (0.56) ESR2TYRPTGS1PTGS2CYP19A1
SCHEMBL3162433 0.80 ALDH1A1 (0.43) ESR2TYRALDH1A1GAAMAPT
SCHEMBL29871375 0.80 ALDH1A1 (0.43) ESR2TYRALDH1A1GAAMAPT
SCHEMBL6434477 0.80 ESR2 (0.49) ESR2TYRPTGS1PTGS2CYP19A1
SCHEMBL6433125 0.79 ESR2 (0.59) ESR2TYRPTGS1PTGS2ALDH1A1
SCHEMBL5935862 0.79 ALDH1A1 (0.46) ESR2TYRALDH1A1MAPTESR1

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 42 patents — showing the first 20. 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-7282592-B2 Resorcinol derivatives WARNER-LAMBERT COMPANY (US) 2007-10-16 US disclosed
US-7282592-B2 Resorcinol derivatives WARNER-LAMBERT COMPANY (US) 2007-10-16 US disclosed
US-20070122367-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2007-05-31 US disclosed
US-20070122367-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2007-05-31 US disclosed
US-7173052-B2 Resorcinol derivatives PFIZER INC. (US) 2007-02-06 US disclosed
US-7173052-B2 Resorcinol derivatives PFIZER INC. (US) 2007-02-06 US disclosed
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US disclosed
WO-2002024613-A2 RESORCINOL DERIVATIVES PFIZER PRODUCTS, INC. (US) 2002-03-28 WO disclosed
US-20020032352-A1 Process for preparing resorcinol derivatives PFIZER PRODUCTS INC. 2002-03-14 US disclosed
WO-2002020474-A2 RESORCINOL DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-03-14 WO disclosed
EP-1165031-A1 RESORCINOL COMPOSITION PFIZER INC. (US) 2002-01-02 EP disclosed
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP 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
WO-2000056279-A1 RESORCINOL COMPOSITION 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-20070122367-A1 RESORCINOL DERIVATIVES LRAT, NQO1, ALDH1A2 ESR2 396/4885TYR 8/4885PTGS1 604/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ESR2 426/4885TYR 9/4885PTGS1 537/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR ESR2 2202/4885TYR 572/4885PTGS1 2551/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 ESR2 426/4885TYR 9/4885PTGS1 537/4885

“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.