SCHEMBL235848

SCHEMBL235848

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.42
ALDH1A1 P00352 8/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 2/20 0.38
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL1858435 0.91 SMN1; SMN2 (0.41) SMN1; SMN2GAAALDH1A1NPSR1MAPT
SCHEMBL14963199 0.78 KDM4E (0.53) SMN1; SMN2GAAALDH1A1MAPTUSP2
SCHEMBL2490865 0.77
SCHEMBL5607056 0.75 NPSR1 (0.46) SMN1; SMN2NPSR1MAPTTDP1ACHE
SCHEMBL11755388 0.75 NPSR1 (0.46) SMN1; SMN2NPSR1MAPTTDP1ACHE
SCHEMBL11755378 0.75 NPSR1 (0.46) SMN1; SMN2NPSR1MAPTTDP1ACHE
SCHEMBL14099841 0.74 SMN1; SMN2 (0.41) SMN1; SMN2GAAALDH1A1NPSR1MAPT
SCHEMBL31518851 0.73 ALDH1A1 (0.41) SMN1; SMN2GAAALDH1A1MAPTUSP2
SCHEMBL3295915 0.73 KDM4E (0.64) SMN1; SMN2GAAALDH1A1MAPTUSP2
SCHEMBL757145 0.73 SLC6A3 (0.47) ACHETSHRSLC6A3

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 12 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-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-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-05 US disclosed
US-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-05 US disclosed
US-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-05 US disclosed
EP-2392555-A2 FULLERENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME Korea Research Institute of Chemical Technology (KRICT) (KR) 2011-12-07 EP 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
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
US-5583261-A FOR APPLICATION TO PLANTS TO TREAT POWDERY MILDEW BRITISH TECHNOLOGY GROUP LTD. (GB) 1996-12-10 US disclosed
US-5464873-A Antigrowth agents BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-07 US disclosed
EP-0650471-A1 ALICYCLIC DIAMINE FUNGICIDES BTG INTERNATIONAL LIMITED (GB) 1995-05-03 EP disclosed
WO-1993024444-A1 ALICYCLIC DIAMINE FUNGICIDES BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-12-09 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 (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-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST F2R, F2RL1, F2RL3 SMN1; SMN2 3382/4885GAA 4443/4885ALDH1A1 1921/4885
US-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same SCO2, VDAC2, TRPA1 SMN1; SMN2 3736/4885GAA 4630/4885ALDH1A1 2704/4885

“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.