SCHEMBL1858435

SCHEMBL1858435

COC(=O)C1=C(C(=O)O)CC(C)=C(C)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 7/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A4 P31645 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 2/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL235848 0.91 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1SLC6A3GAAMAPT
SCHEMBL232172 0.83 TPMT (0.32) SMN1; SMN2ALDH1A1
SCHEMBL8834132 0.76 NPSR1 (0.34) SMN1; SMN2ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL30770833 0.75
SCHEMBL5607802 0.75 SLC6A3 (0.44) SMN1; SMN2ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL3295918 0.74 KDM4E (0.56) SMN1; SMN2ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL9255427 0.73 TDP1 (0.32) TDP1
SCHEMBL28273825 0.72 SLC6A2 (0.35) SMN1; SMN2ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL2371417 0.71 SLC6A3 (0.54) SLC6A2SLC6A3SLC6A4ACHE
SCHEMBL9561660 0.71 SLC6A3 (0.50) SLC6A2SLC6A3SLC6A4ACHE

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-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST F2R, F2RL1, F2RL3 SMN1; SMN2 3382/4885ALDH1A1 1921/4885SLC6A2 4434/4885

“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.