SCHEMBL6421995

SCHEMBL6421995

COC(=O)c1cc(Cl)ccc1OCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MAPT P10636 3/20 0.50
ABL1 P00519 1/20 0.50
S1PR4 O95977 1/20 0.49
NR4A2 P43354 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
CNR1 P21554 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSP90AA1 P07900 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL2796366 0.93 MAPT (0.52) SLC6A4SLC6A3MAPTABL1S1PR4
SCHEMBL929622 0.88 MAPT (0.50) MAPTABL1S1PR4NR4A2LMNA
SCHEMBL4360418 0.88 LMNA (0.51) MAPTABL1S1PR4LMNAALDH1A1
SCHEMBL1505120 0.88 S1PR4 (0.52) MAPTABL1S1PR4LMNAALDH1A1
SCHEMBL1154092 0.87 KDM4E (0.54) MAPTABL1S1PR4LMNAALDH1A1
SCHEMBL2799514 0.85 MAPT (0.55) MAPTABL1S1PR4LMNAALDH1A1
Hydrochloric Acid SCHEMBL1505031 0.85 ABL1 (0.51) MAPTABL1S1PR4LMNAALDH1A1
SCHEMBL21436682 0.84 NPC1 (0.53) MAPTLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL17040919 0.84 SMN1; SMN2 (0.58) MAPTABL1NR4A2LMNAALDH1A1
SCHEMBL1505146 0.84 S1PR4 (0.49) MAPTABL1S1PR4LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 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 (3 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 SLC6A4 4304/4885SLC6A3 4017/4885MAPT 4677/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 SLC6A4 4601/4885SLC6A3 4215/4885MAPT 4166/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 SLC6A4 4596/4885SLC6A3 4129/4885MAPT 4245/4885

“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.