SCHEMBL4664590

SCHEMBL4664590

CCc1cc(CBr)ccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPA1 O75762 1/20 0.40
TSHR P16473 1/20 0.40
FOLH1 Q04609 1/20 0.39
CSNK2A1 P68400 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
DPP4 P27487 1/20 0.37
FBP1 P09467 1/20 0.36
TACR1 P25103 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
SCHEMBL30500513 0.87 NPC1 (0.53) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL29712511 0.87 ALDH1A1 (0.44) ALDH1A1MAPK1TRPA1TSHRFOLH1
SCHEMBL4662861 0.84 FOLH1 (0.44) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL27489238 0.81 PTGS1 (0.49) LMNATSHRFOLH1CES2CES1
SCHEMBL19824469 0.81 TDP1 (0.45) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL9654854 0.80 CA2 (0.34) CSNK2A1TACR1
SCHEMBL19194181 0.79 ALDH1A1 (0.39) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL1967799 0.79 CNR1 (0.41) CSNK2A1DPP4TP53MMP2MMP3
SCHEMBL9978839 0.79 TSHR (0.55) ALDH1A1LMNAMAPTTSHRFOLH1
SCHEMBL1373277 0.79 ALDH1A1 (0.48) ALDH1A1MAPK1TRPA1TSHRFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
CN-1787817-B Immunosuppressant compounds and compositions IRM LLC 2011-09-07 CN disclosed
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
CN-1787817-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-14 CN disclosed
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US disclosed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP disclosed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 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 (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-20050014724-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 ALDH1A1 3602/4885NPC1 2745/4885LMNA 4872/4885

“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.