SCHEMBL23074715

SCHEMBL23074715

Cc1cc(OCCN(CCOc2cc(C)nc(C)c2)C2CCCCCCC2)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE3B Q13370 5/20 0.34
▸ PDE3A Q14432 5/20 0.34
▸ P2RY12 Q9H244 5/20 0.34
▸ PDE2A O00408 3/20 0.34

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
SCHEMBL23074708 0.84 F2 (0.41) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL23074644 0.78 KDM4E (0.51) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23074687 0.78 SLC6A9 (0.42) ALDH1A1
SCHEMBL23074691 0.77 SLC6A9 (0.35) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL22831353 0.77 KCNH2 (0.46) ALDH1A1L3MBTL1
SCHEMBL23074711 0.77 MEN1 (0.52) ALDH1A1MEN1KMT2ANPSR1L3MBTL1
SCHEMBL23074699 0.75 ALDH1A1 (0.43) ALDH1A1
SCHEMBL23074701 0.75 ALDH1A1 (0.43) ALDH1A1
SCHEMBL23074671 0.74 ALDH1A1 (0.53) ALDH1A1
SCHEMBL22831349 0.73 MAPT (0.58) ALDH1A1

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-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO-RAD LABORATORIES, INC. 2021-03-11 — — 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-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS ABCG2, SLC7A1, MSR1 ALDH1A1 4738/4885MEN1 3364/4885KMT2A 3348/4885

“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.

Send feedback