SCHEMBL13172918

SCHEMBL13172918

CCC(=O)OC1CCN(c2ccc(/C=C(\C#N)c3ccc(OC)c(OC)c3)s2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.72
▸ ABCG2 Q9UNQ0 1/20 0.72
▸ PDE4B Q07343 2/20 0.41
▸ KDM2B Q8NHM5 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ LMNA P02545 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ PTPN12 Q05209 1/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL1956827 0.92 ABCB1 (0.68) ABCB1ABCG2PDE4BKDM2BMAPT
SCHEMBL1956828 0.92 ABCB1 (0.68) ABCB1ABCG2PDE4BKDM2BMAPT
Hydrochloric Acid SCHEMBL1959181 0.91 ABCB1 (0.67) ABCB1ABCG2PDE4BKDM2BMAPT
Hydrochloric Acid SCHEMBL1959182 0.91 ABCB1 (0.67) ABCB1ABCG2PDE4BKDM2BMAPT
SCHEMBL1958340 0.91 ABCB1 (0.69) ABCB1ABCG2PDE4BKDM2BMAPT
SCHEMBL1958342 0.91 ABCB1 (0.69) ABCB1ABCG2PDE4BKDM2BMAPT
SCHEMBL1957233 0.91 ABCB1 (0.69) ABCB1ABCG2PDE4BKDM2BMAPT
SCHEMBL1957234 0.91 ABCB1 (0.69) ABCB1ABCG2PDE4BKDM2BMAPT
SCHEMBL2814572 0.90 ABCB1 (0.68) ABCB1ABCG2PDE4BKDM2BMAPT
Hydrochloric Acid SCHEMBL1961488 0.90 ABCB1 (0.68) ABCB1ABCG2PDE4BKDM2BMAPT

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-20100249089-A1 ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2010-09-30 — — 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-20100249089-A1 ABCG2 INHIBITOR ABCC1, ABCB1, ABCC5 ABCB1 2/4885ABCG2 7/4885PDE4B 4244/4885

“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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