SCHEMBL6437541

SCHEMBL6437541

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.49
DGAT1 O75907 9/20 0.41
FFAR4 Q5NUL3 2/20 0.39
CA12 O43570 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ESR2 Q92731 1/20 0.37
FFAR1 O14842 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
FAAH O00519 1/20 0.36
CHRM2 P08172 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
SCHEMBL6435789 1.00 TYR (0.49) TYRDGAT1FFAR4CA12ALDH1A1
SCHEMBL6437507 1.00 TYR (0.49) TYRDGAT1FFAR4CA12ALDH1A1
SCHEMBL7807001 0.86 TYR (0.48) TYRDGAT1ALDH1A1ESR1CYP3A4
SCHEMBL19249421 0.81 TYR (0.48) TYRALDH1A1CYP3A4CYP2C9ESR2
SCHEMBL6438534 0.80 ESR2 (0.58) TYRALDH1A1ESR1CYP3A4CYP2C9
SCHEMBL6438532 0.80 ESR2 (0.58) TYRALDH1A1ESR1CYP3A4CYP2C9
Resorcinol SCHEMBL8653969 0.80 CA12 (0.46) DGAT1FFAR4CA12ALDH1A1CA1
SCHEMBL6437424 0.79 TYR (0.49) TYRCA12ALDH1A1CA1CA2
SCHEMBL7027321 0.77 TYR (0.46) TYRCA12CA1CA2CA7
SCHEMBL6436708 0.77 TYR (0.45) TYRDGAT1ALDH1A1CA1CA2

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 17 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-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 (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 TYR 572/4885DGAT1 2348/4885FFAR4 1672/4885
US-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR TYR 572/4885DGAT1 2348/4885FFAR4 1672/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 TYR 9/4885DGAT1 2337/4885FFAR4 2590/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR TYR 572/4885DGAT1 2348/4885FFAR4 1672/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 TYR 9/4885DGAT1 2337/4885FFAR4 2590/4885

“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.