SCHEMBL4820736

SCHEMBL4820736

CCCC(C=O)CCC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.34
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.32
SLC15A2 Q16348 1/20 0.32

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
SCHEMBL15187861 0.84 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1LMNA
SCHEMBL11318980 0.83 HDAC1 (0.44) TSHRSMN1; SMN2ALDH1A1TDP1CHRM1
SCHEMBL4815365 0.81 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1TDP1CHRM1
SCHEMBL25735227 0.81 ALDH1A1 (0.36) TSHRSMN1; SMN2ALDH1A1LMNASLC15A2
SCHEMBL8011644 0.81 CNR1 (0.40) TSHRSMN1; SMN2ALDH1A1TDP1CHRM1
SCHEMBL514688 0.81
SCHEMBL7225012 0.78 TSHR (0.55) TSHRSMN1; SMN2TDP1CYP3A4CTSK
SCHEMBL29004671 0.78 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1LMNACTSK
SCHEMBL8002896 0.76 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL3043590 0.76 L3MBTL1 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378383-B2 Perfuming ingredients of the woody type FIRMENICH SA (CH) 2008-05-27 US disclosed
EP-1605035-B1 Perfuming ingredients of the woody type FIRMENICH & CIE (CH) 2007-09-19 EP disclosed
EP-1605035-A1 Perfuming ingredients of the woody type FIRMENICH SA (CH) 2005-12-14 EP disclosed
US-20050272632-A1 Perfuming ingredients of the woody type FIRMENICH SA (CH) 2005-12-08 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 (1 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-20050272632-A1 Perfuming ingredients of the woody type QDPR, DCXR, CBR3 TSHR 4145/4885SMN1; SMN2 3841/4885ALDH1A1 858/4885

“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.