SCHEMBL6439899

SCHEMBL6439899

ON=C1CCC(c2ccc(O)cc2OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.47
SLC6A3 Q01959 5/20 0.47
HTR1A P08908 4/20 0.47
SLC6A4 P31645 4/20 0.47
ESR2 Q92731 2/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TYR P14679 1/20 0.38
SLC2A1 P11166 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL6437542 0.86 ALOX5AP (0.43) SLC6A2SLC6A3HTR1ASLC6A4ESR2
SCHEMBL6439890 0.82 LMNA (0.44) SLC6A2SLC6A3ESR2MAOBLMNA
SCHEMBL6433301 0.79 ESR2 (0.51) ESR2MAOAMAOBMAPTMAPK1
SCHEMBL23036101 0.78 SLC6A2 (0.56) SLC6A2SLC6A3HTR1ASLC6A4ALOX5AP
SCHEMBL6439894 0.73 TYR (0.48) ESR2MAOBTYRBCHEACHE
SCHEMBL6433125 0.73 ESR2 (0.59) ESR2CYP1A2PTGS1CYP2C19PTGS2
SCHEMBL27281637 0.72 SLC6A4 (0.56) SLC6A2SLC6A3HTR1ASLC6A4ALOX5AP
SCHEMBL12836290 0.70 HTR1A (0.79) SLC6A2SLC6A3HTR1ASLC6A4ALOX5AP
SCHEMBL29721165 0.70 SLC2A1 (0.59) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL8728948 0.70 SLC2A1 (0.59) SLC6A2SLC6A3LMNACYP1A2PTGS1

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
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP claimed
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 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
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 SLC6A2 297/4885SLC6A3 597/4885HTR1A 3298/4885
US-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR SLC6A2 297/4885SLC6A3 597/4885HTR1A 3298/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 SLC6A2 404/4885SLC6A3 1479/4885HTR1A 3379/4885
US-20020032352-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR SLC6A2 297/4885SLC6A3 597/4885HTR1A 3298/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 SLC6A2 404/4885SLC6A3 1479/4885HTR1A 3379/4885

“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.