SCHEMBL412441

SCHEMBL412441

CC(=O)CCn1ncnn1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.30
SLC15A2 Q16348 1/20 0.30

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
SCHEMBL1179541 0.80 L3MBTL1 (0.35) POLBHRH3LMNA
SCHEMBL2824372 0.69 POLB (0.33) POLB
SCHEMBL10458765 0.67
SCHEMBL10349775 0.67
Acetic Acid SCHEMBL27672271 0.66 FFAR3 (0.33)
SCHEMBL4886727 0.66 ALDH1A1 (0.41) ALDH1A1LMNASLC15A2
SCHEMBL4687398 0.65 CSNK2A2 (0.37) HRH3
SCHEMBL4687394 0.65 HRH3 (0.31) HRH3
Formic Acid SCHEMBL27719201 0.65 POLB (0.32) POLB
SCHEMBL412431 0.64 ALDH1A1 (0.58) ALDH1A1POLBLMNA

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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 ALDH1A1 394/4885POLB 643/4885HRH3 2649/4885

“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.