SCHEMBL3903022

SCHEMBL3903022

CCCC(CCCC1CCCCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
CHRM1 P11229 1/20 0.53
AKR1A1 P14550 1/20 0.53
CHRM3 P20309 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 1/20 0.50
PPARG P37231 4/20 0.47
MAPT P10636 1/20 0.45
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
MME P08473 1/20 0.40
GRIK1 P39086 1/20 0.40

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
SCHEMBL5380058 0.90 CYP1A2 (0.52) SMN1; SMN2CYP1A2PPARGMAPTCA2
SCHEMBL5379171 0.90 CYP1A2 (0.52) SMN1; SMN2CYP1A2PPARGMAPTCA2
SCHEMBL3905083 0.90 CHRM1 (0.57) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5379484 0.89 CYP1A2 (0.53) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5372496 0.89 CYP1A2 (0.53) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5370056 0.88 METAP1 (0.43) SMN1; SMN2CYP1A2PPARGMAPTMMP2
SCHEMBL5383535 0.87 CYP1A2 (0.52) SMN1; SMN2CYP1A2PPARGMAPTCA2
SCHEMBL2553558 0.87 CYP1A2 (0.52) SMN1; SMN2CYP1A2PPARGMAPTCA2
SCHEMBL3151682 0.87 PPARG (0.53) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL17224011 0.85 CHRM1 (0.52) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A

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 21 patents — showing the first 20. 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
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-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-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
US-20050267167-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US disclosed
US-20050267168-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US disclosed
US-20050261371-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-11-24 US disclosed
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US disclosed
US-6201021-B1 TREATMENT OF DISEASES INDUCED BY REACTIVE ASTROCYTES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-03-13 US disclosed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP disclosed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 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 (5 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
US-20050267167-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 SMN1; SMN2 373/4885CHRM1 93/4885AKR1A1 771/4885
US-20050261371-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 SMN1; SMN2 402/4885CHRM1 84/4885AKR1A1 830/4885

“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.