SCHEMBL2888058

SCHEMBL2888058

OCc1cc2c(cc1OCc1ccc(Br)cc1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
CCR5 P51681 5/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
STAT3 P40763 1/20 0.40
HPD P32754 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMPD1 P17405 1/20 0.39
USP28 Q96RU2 1/20 0.39
USP25 Q9UHP3 1/20 0.39

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
SCHEMBL2884770 0.85 MAOB (0.45) MAOBMAOACCR5LMNASMN1; SMN2
SCHEMBL2889943 0.83 CCR5 (0.44) MAOBMAOACCR5SMN1; SMN2NPC1
SCHEMBL2889904 0.82 MAOB (0.42) MAOBMAOACCR5LMNAMAPT
SCHEMBL2888586 0.74 MAPT (0.49) MAOBMAOACCR5MAPTTDP1
SCHEMBL13384688 0.72 HTR2A (0.46) MAOBMAOALMNASTAT3SMN1; SMN2
SCHEMBL30866196 0.72 MEN1 (0.68) MAOBCCR5STAT3SMN1; SMN2PTGDR2
SCHEMBL29186218 0.72 MEN1 (0.68) MAOBCCR5STAT3SMN1; SMN2PTGDR2
SCHEMBL3290684 0.71 CHRNA7 (0.40) MAOBMAOASMN1; SMN2NPC1RAB9A
SCHEMBL16064489 0.71 USP28 (0.57) MAOBCCR5LMNASMN1; SMN2HTT
SCHEMBL4680227 0.71 USP28 (0.68) CCR5LMNASMN1; SMN2PTGDR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20040082798-A1 Novel amino dicarboxylic acid derivatives with pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 US disclosed
EP-1368335-A2 NOVEL AMINO DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070510-A2 AMINO DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 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 (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-20040082798-A1 Novel amino dicarboxylic acid derivatives with pharmaceutical properties ABAT, BCAT2, GOT1 MAOB 3358/4885MAOA 2829/4885CCR5 2730/4885
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties ACMSD, AADAT, DDC MAOB 924/4885MAOA 975/4885CCR5 1881/4885

“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.