SCHEMBL6019680

SCHEMBL6019680

O=C(CC1CCCCC1)OCCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NAAA Q02083 3/20 0.40
NFE2L2 Q16236 1/20 0.40
ASAH1 Q13510 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
SCHEMBL27842415 0.86 EPHX1 (0.49) SMN1; SMN2EPHX1LMNAHPGDKMT2A
SCHEMBL4626998 0.84 TDP1 (0.40) SMN1; SMN2L3MBTL1LMNAKMT2AALDH1A1
SCHEMBL2265099 0.84 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1LMNAHPGDKMT2A
SCHEMBL1734362 0.83 EPHX1 (0.46) SMN1; SMN2EPHX1LMNAHPGDKMT2A
SCHEMBL8395728 0.82 SMN1; SMN2 (0.45) SMN1; SMN2EPHX1LMNAHPGDKMT2A
SCHEMBL1439009 0.82 L3MBTL1 (0.41) SMN1; SMN2EPHX1L3MBTL1LMNAHPGD
SCHEMBL8394699 0.82 SMN1; SMN2 (0.45) SMN1; SMN2EPHX1LMNAHPGDKMT2A
SCHEMBL11096063 0.82 L3MBTL1 (0.41) SMN1; SMN2EPHX1L3MBTL1LMNAHPGD
SCHEMBL8893833 0.82 SMN1; SMN2 (0.45) SMN1; SMN2EPHX1LMNAHPGDKMT2A
SCHEMBL16470982 0.82 SMN1; SMN2 (0.49) SMN1; SMN2EPHX1LMNAKMT2ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed
US-20060183753-A1 Use of substituted 2,5-diamidoindoles for the treatment of urological diseases BAYER HEALTHCARE AG (DE) 2006-08-17 US disclosed
US-7045544-B2 Substituted 2,5-diamidoindoles as ECE inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2006-05-16 US disclosed
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2005-02-17 US disclosed
US-4937251-A TREATING ASTHMA AND BRONCHITIS; ADRENERGIC STIMULANTS GLAXO GROUP LIMITED (GB) 1990-06-26 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 (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-20060183753-A1 Use of substituted 2,5-diamidoindoles for the treatment of urological diseases DCK, UROD, QDPR SMN1; SMN2 3855/4885EPHX1 3702/4885L3MBTL1 3676/4885
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases ECE1, ECE2, EDNRA SMN1; SMN2 3478/4885EPHX1 192/4885L3MBTL1 2534/4885

“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.