SCHEMBL22504107

SCHEMBL22504107

CCCC(CC(N)=O)c1ccc(OCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
LMNA P02545 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ACACB O00763 3/20 0.44
ACACA Q13085 1/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
NQO1 P15559 1/20 0.42
CNR2 P34972 1/20 0.42
ADRA2A P08913 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL11080051 0.91 PARP10 (0.56) PARP10LMNAGAAHTTALDH1A1
SCHEMBL18512738 0.82 NQO1 (0.58) PARP10TAS1R3TAS1R1ALDH1A1ACACB
SCHEMBL11278038 0.81 LMNA (0.58) LMNAGAAHTTACACBACACA
SCHEMBL11075541 0.81 LMNA (0.66) LMNAGAAHTTMMP9MMP8
SCHEMBL19407525 0.81 CYP2C19 (0.48) LMNAALDH1A1
SCHEMBL4692057 0.81 ESR1 (0.57) LMNAALDH1A1MAPTTSHR
SCHEMBL12836520 0.80 PARP10 (0.54) PARP10LMNAGAAHTTALDH1A1
SCHEMBL184884 0.79 ALDH1A1 (0.54) LMNAALDH1A1MAPT
SCHEMBL15614666 0.79 ALDH1A1 (0.54) LMNAALDH1A1MAPT
SCHEMBL2275392 0.76 FFAR1 (0.58) PARP10ALDH1A1ACACBMMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2021-05-06 US disclosed
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 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-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 PARP10 1046/4885LMNA 1000/4885TAS1R3 2815/4885
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA PARP10 1119/4885LMNA 680/4885TAS1R3 2882/4885

“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.