SCHEMBL18509211

SCHEMBL18509211

CCN(CC)c1ccc(C(C)S)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.50
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
GFER P55789 2/20 0.50
PSMD14 O00487 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH3A1 P30838 1/20 0.47
ALDH1A3 P47895 1/20 0.47
GRK6 P43250 1/20 0.44
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
CNR1 P21554 3/20 0.40
POLB P06746 1/20 0.40
TERT O14746 1/20 0.39

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
SCHEMBL4434581 0.82 ALDH1A1 (0.54) CNR2ALDH1A1TSHRGFERPSMD14
SCHEMBL12000833 0.82 ALDH1A1 (0.54) CNR2ALDH1A1TSHRGFERPSMD14
SCHEMBL10080950 0.82 ALDH1A1 (0.60) CNR2ALDH1A1TSHRGFERPSMD14
SCHEMBL667861 0.80 ALDH1A1 (0.52) CNR2ALDH1A1TSHRGFERPSMD14
SCHEMBL131813 0.79 ALDH1A1 (0.56) CNR2ALDH1A1TSHRGFERPSMD14
SCHEMBL17428470 0.78 CNR2 (0.50) CNR2ALDH1A1TSHRGFERPSMD14
SCHEMBL14308404 0.78 CNR2 (0.50) CNR2ALDH1A1TSHRGFERPSMD14
SCHEMBL11107464 0.78 CNR2 (0.50) CNR2ALDH1A1TSHRGFERPSMD14
SCHEMBL9158083 0.78 ALDH1A1 (0.55) CNR2ALDH1A1TSHRGFERPSMD14
SCHEMBL11478859 0.78 ALDH1A1 (0.56) CNR2ALDH1A1TSHRGFERPSMD14

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-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 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-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 CNR2 18/4885ALDH1A1 1095/4885TSHR 1264/4885

“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.