SCHEMBL4440523

SCHEMBL4440523

CC(O)c1ccccc1Oc1ccccc1C(C)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
SLC6A4 P31645 6/20 0.42
HTR2A P28223 4/20 0.42
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALOX15 P16050 1/20 0.38
KCNH2 Q12809 2/20 0.38
AGTR1 P30556 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ACHE P22303 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
SCHEMBL2356142 0.87 SLC6A4 (0.49) SLC6A4HTR2AKCNH2LMNAGAA
SCHEMBL4609960 0.86 CA1 (0.55) AGTR1LMNACYP1A2KMT2AALDH1A1
SCHEMBL30010698 0.86 CA1 (0.55) AGTR1LMNACYP1A2KMT2AALDH1A1
SCHEMBL14376164 0.86 CA1 (0.55) AGTR1LMNACYP1A2KMT2AALDH1A1
SCHEMBL3929903 0.86 CA1 (0.55) AGTR1LMNACYP1A2KMT2AALDH1A1
SCHEMBL343860 0.86 CA1 (0.55) AGTR1LMNACYP1A2KMT2AALDH1A1
SCHEMBL15515907 0.86 SLC6A4 (0.47) SLC6A4HTR2AKCNH2LMNAGAA
SCHEMBL19668703 0.85 CASP1 (0.41) SLC6A4HTR2ACYP1A2KDM4EGAA
SCHEMBL8777075 0.84 HRH1 (0.38) P2RX3P2RX2SLC6A4SLC6A2SLC6A3
SCHEMBL8324534 0.83 PTGS2 (0.53) LMNACYP1A2KDM4EKMT2AALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787152-B1 PROCESS FOR PRODUCING AN AQUEOUS AMINE OXIDE SOLUTION CHEMIEFASER LENZING AG (AT) 1998-01-07 EP claimed
EP-0787152-A1 PROCESS FOR PRODUCING AN AQUEOUS AMINE OXIDE SOLUTION LENZING AKTIENGESELLSCHAFT (AT) 1997-08-06 EP claimed
WO-1997007137-A1 PROCESS FOR PRODUCING AN AQUEOUS AMINE OXIDE SOLUTION LENZING AKTIENGESELLSCHAFT (AT) 1997-02-27 WO claimed
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US disclosed
EP-0908478-B1 Preparation process for flexible polyurethane foams BASF AG (DE) 2005-05-11 EP disclosed
EP-0908478-A1 Preparation process for flexible polyurethane foams BASF AKTIENGESELLSCHAFT (DE) 1999-04-14 EP disclosed
EP-0787152-B1 PROCESS FOR PRODUCING AN AQUEOUS AMINE OXIDE SOLUTION CHEMIEFASER LENZING AG (AT) 1998-01-07 EP disclosed
EP-0787152-A1 PROCESS FOR PRODUCING AN AQUEOUS AMINE OXIDE SOLUTION LENZING AKTIENGESELLSCHAFT (AT) 1997-08-06 EP disclosed
WO-1997007137-A1 PROCESS FOR PRODUCING AN AQUEOUS AMINE OXIDE SOLUTION LENZING AKTIENGESELLSCHAFT (AT) 1997-02-27 WO disclosed
EP-0281941-A2 Coreactive photoinitiators CIBA-GEIGY AG (CH) 1988-09-14 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 (1 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 P2RX3 3256/4885P2RX2 3780/4885SLC6A4 724/4885

“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.