SCHEMBL3266741

SCHEMBL3266741

COc1cccc(C=O)c1COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.50
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
SRC P12931 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
MAOA P21397 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6536167 0.81 ERN1 (0.53) ERN1TLR2TLR1TLR6LMNA
SCHEMBL1494208 0.78 ERN1 (0.58) ERN1TLR2TLR1TLR6LMNA
SCHEMBL9176154 0.76 ERN1 (0.54) ERN1TLR2TLR1TLR6LMNA
2-Methoxybenzaldehyde SCHEMBL28193905 0.75 LMNA (0.63) ERN1TLR2TLR1TLR6LMNA
SCHEMBL3266953 0.75 L3MBTL1 (0.46) KMT2AALDH1A1MAOB
SCHEMBL11816304 0.75 ALDH1A1 (0.48) LMNAKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL4984877 0.74 TLR2 (0.53) ERN1TLR2TLR1TLR6LMNA
SCHEMBL9227782 0.74 TLR2 (0.53) ERN1TLR2TLR1TLR6LMNA
SCHEMBL1125006 0.74 KDM4E (0.60) ERN1SRCNPC1RAB9A
SCHEMBL28129638 0.74 KDM4E (0.60) ERN1SRCNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US 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 (2 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-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ERN1 1047/4885TLR2 4839/4885TLR1 4710/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ERN1 1047/4885TLR2 4839/4885TLR1 4710/4885

“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.