SCHEMBL18509217

SCHEMBL18509217

CC(S)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ MAPT P10636 4/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL2627852 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTALOX15MAPK1
SCHEMBL18509216 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTALOX15MEN1
SCHEMBL15247188 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTALOX15MAPK1
SCHEMBL21388631 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTALOX15MAPK1
SCHEMBL12891937 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTALOX15MAPK1
SCHEMBL5046325 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTALOX15MAPK1
SCHEMBL18012415 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTALOX15MAPK1
SCHEMBL8546835 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTALOX15MAPK1
SCHEMBL1681746 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTALOX15MAPK1
SCHEMBL12891940 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTALOX15MAPK1

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 ALDH1A1 1095/4885KDM4E 3087/4885MAPT 4235/4885

“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.

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