SCHEMBL19659744

SCHEMBL19659744

CCCCOC1CCC(Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.33
PPP5C P53041 1/20 0.33
GBA1 P04062 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
NAAA Q02083 2/20 0.32
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
S1PR5 Q9H228 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL5986706 0.89
SCHEMBL13107171 0.82 TSHR (0.46) EPHX2SMN1; SMN2TSHRGBA1ALDH1A1
SCHEMBL5987408 0.81
SCHEMBL849072 0.80 PPP5C (0.42) EPHX2PPP5CALDH1A1NAAALIPC
Ethylene Glycol SCHEMBL27905327 0.80 TSHR (0.50) EPHX2SMN1; SMN2TSHRPPP5CGBA1
SCHEMBL19576089 0.80 SMN1; SMN2 (0.38) EPHX2SMN1; SMN2TSHRPPP5CGBA1
SCHEMBL13106449 0.80 MEN1 (0.45) EPHX2SMN1; SMN2TSHRGBA1ALDH1A1
SCHEMBL13401898 0.80 SMN1; SMN2 (0.38) EPHX2SMN1; SMN2TSHRPPP5CGBA1
SCHEMBL16769995 0.80 PPP5C (0.37) EPHX2SMN1; SMN2TSHRPPP5CGBA1
SCHEMBL2606649 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340636-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF AUTOPHAGY UNIV TEXAS (US) 2017-11-30 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-20170340636-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF AUTOPHAGY ATG7, BECN1, ULK1 EPHX2 3220/4885SMN1; SMN2 4541/4885TSHR 4480/4885

“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.