SCHEMBL5841559

SCHEMBL5841559

Cc1ccc(OB(Oc2cccc(C)c2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
HTT P42858 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 1/20 0.41
GAA P10253 2/20 0.39
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 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
SCHEMBL6610175 0.93 ACHE (0.50) ACHEHTTTDP1L3MBTL1ALDH1A1
SCHEMBL14983438 0.86 ACHE (0.45) ACHEHTTALDH1A1DRD2DRD4
SCHEMBL14983334 0.84 ACHE (0.42) ACHEHTTTDP1ALDH1A1DRD2
SCHEMBL21658312 0.80 ACHE (0.52) ACHEHTTTDP1L3MBTL1ALDH1A1
SCHEMBL21658449 0.80 ACHE (0.52) ACHEHTTTDP1L3MBTL1ALDH1A1
SCHEMBL28425704 0.80 ACHE (0.41) ACHEHTTTDP1ALDH1A1DRD2
SCHEMBL734634 0.78 CA4 (0.46) TDP1ALDH1A1GAALMNATSHR
SCHEMBL5841563 0.76 ACHE (0.47) ACHEHTTALDH1A1DRD2DRD4
SCHEMBL14983501 0.74 CA4 (0.58) ACHEHTTTDP1L3MBTL1ALDH1A1
SCHEMBL21567682 0.73 LTA4H (0.42) ACHEHTTTDP1L3MBTL1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 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 (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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R ACHE 1244/4885HTT 584/4885TDP1 4176/4885

“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.