SCHEMBL6420071

SCHEMBL6420071

COC(=O)c1ccc(C2OCCCO2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HPGD P15428 4/20 0.54
HNF4A P41235 1/20 0.49
ALDH1A1 P00352 7/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
ATM Q13315 2/20 0.46

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
SCHEMBL2360322 0.93 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDHNF4A
SCHEMBL178972 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL18259873 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL18124419 0.82 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL23662444 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDHNF4A
SCHEMBL18259867 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL6421056 0.79 TSHR (0.46) NPC1RAB9ASMN1; SMN2HPGDHNF4A
SCHEMBL18259946 0.78 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL2792782 0.77 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3765025 0.76 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2KMT2ACASP7

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 NPC1 1550/4885RAB9A 2398/4885SMN1; SMN2 3102/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 NPC1 1814/4885RAB9A 2993/4885SMN1; SMN2 2613/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 NPC1 1651/4885RAB9A 2817/4885SMN1; SMN2 2854/4885

“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.