SCHEMBL5515416

SCHEMBL5515416

CCCC(CC1CCCCC1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
CHRM1 P11229 1/20 0.54
AKR1A1 P14550 1/20 0.54
CHRM3 P20309 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
ADRA1A P35348 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 1/20 0.46
GRIK1 P39086 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL18050479 1.00 SMN1; SMN2 (0.54) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL14574040 0.90 CHRM1 (0.60) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7538580 0.90 CHRM1 (0.60) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7382758 0.89 CA2 (0.53) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5372466 0.86 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KMT2ALTA4HGRIK1
SCHEMBL8735264 0.86 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KMT2ALTA4HGRIK1
SCHEMBL8737248 0.86 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KMT2ALTA4HGRIK1
SCHEMBL8737263 0.86 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KMT2ALTA4HGRIK1
SCHEMBL28807909 0.86 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KMT2ALTA4HGRIK1
SCHEMBL13711847 0.85 ATM (0.50) SMN1; SMN2ALDH1A1KMT2ALTA4HSLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267168-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US claimed
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US claimed
US-6201021-B1 TREATMENT OF DISEASES INDUCED BY REACTIVE ASTROCYTES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-03-13 US claimed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP claimed
CN-1100408-A Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-03-22 CN claimed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP claimed
US-8569058-B2 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-7569608-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569609-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20070043114-A1 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
US-7176240-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
EP-1685832-A1 NERVE REGENERATION PROMOTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-02 EP disclosed
EP-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 EP disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 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 (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-20050267168-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 SMN1; SMN2 373/4885CHRM1 93/4885AKR1A1 771/4885
US-20070043114-A1 Nerve regeneration promoters BDNF, NGF, GAP43 SMN1; SMN2 43/4885CHRM1 2671/4885AKR1A1 2042/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 SMN1; SMN2 138/4885CHRM1 84/4885AKR1A1 976/4885

“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.