SCHEMBL4926941

SCHEMBL4926941

O[C@H](CCl)CN(CCCCN(Cc1ccccc1)C[C@H](O)CCl)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
POLB P06746 3/20 0.44
TSHR P16473 1/20 0.42
BCHE P06276 2/20 0.40
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DPP8 Q6V1X1 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
SCHEMBL1336862 0.90 POLB (0.49) ALDH1A1MAPTGAAMAPK1POLB
SCHEMBL23512823 0.90 POLB (0.49) ALDH1A1MAPTGAAMAPK1POLB
SCHEMBL1336860 0.90 POLB (0.49) ALDH1A1MAPTGAAMAPK1POLB
SCHEMBL18970299 0.90 POLB (0.49) ALDH1A1MAPTGAAMAPK1POLB
SCHEMBL8321789 0.89 ALDH1A1 (0.58) ALDH1A1MAPTGAAMAPK1POLB
SCHEMBL26253773 0.89 ALDH1A1 (0.58) ALDH1A1MAPTGAAMAPK1POLB
SCHEMBL21225112 0.81 ALDH1A1 (0.44) ALDH1A1MAPTGAAMAPK1HDAC3
SCHEMBL21225111 0.81 ALDH1A1 (0.44) ALDH1A1MAPTGAAMAPK1HDAC3
SCHEMBL27414989 0.80 POLB (0.51) ALDH1A1MAPTGAAMAPK1HDAC3
SCHEMBL22873959 0.80 ALDH1A1 (0.43) ALDH1A1MAPTGAAMAPK1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108706-A1 Chemical resection of pancreas BERGERON RAYMOND J JR 2008-05-08 US disclosed
US-5962533-A ANTITUMOR AGENTS; ANTIDIARRHEA AGENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1999-10-05 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-20080108706-A1 Chemical resection of pancreas RNASE1, AMY2A, IAPP ALDH1A1 457/4885MAPT 4839/4885GAA 2087/4885

“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.