SCHEMBL5321972

SCHEMBL5321972

CCC(c1ccccc1C)C(N)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 16/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL27507427 0.82 KMT2A (0.39) CTSAMEN1ALDH1A1LMNAKMT2A
SCHEMBL5324385 0.81 SLC1A3 (0.42) CTSAMEN1ALDH1A1LMNAMAPT
SCHEMBL5327684 0.81 CTSA (0.43) CTSA
SCHEMBL5319467 0.81 CYP2C9 (0.51) ALDH1A1
SCHEMBL5322444 0.80 GABBR2 (0.49) MEN1LMNAMAPTKMT2A
SCHEMBL2320843 0.80 CTSA (0.47) CTSA
SCHEMBL2320833 0.80 CTSA (0.47) CTSA
SCHEMBL5720952 0.80 CTSA (0.47) CTSA
Hydrochloric Acid SCHEMBL14108446 0.78 CTSA (0.46) CTSA
Hydrochloric Acid SCHEMBL14108447 0.78 CTSA (0.46) CTSA

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 — — US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 — — WO 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 CTSA 4431/4885MEN1 927/4885ALDH1A1 4879/4885

“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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