SCHEMBL6038975

SCHEMBL6038975

[CH2]c1cc(CC(C)(C)C)ccc1-n1cnnn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
POLB P06746 2/20 0.39
NOTUM Q6P988 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL16232236 0.75 NOTUM (0.53) ALDH1A1POLBNOTUMTDP1LMNA
SCHEMBL6039239 0.71 CYP3A4 (0.37) ALDH1A1TDP1KMT2ALMNAMAPK1
SCHEMBL6039466 0.69
SCHEMBL9969501 0.67 NOTUM (0.50) ALDH1A1POLBNOTUMTDP1LMNA
SCHEMBL6038950 0.66 PDE4A (0.35) SMN1; SMN2
SCHEMBL16122119 0.66 ALDH1A1 (0.52) ALDH1A1POLBTDP1KMT2ATSHR
SCHEMBL3859373 0.66 ESR1 (0.43) KMT2A
SCHEMBL19381158 0.64 LMNA (0.52) ALDH1A1POLBTDP1KMT2ATSHR
SCHEMBL18994977 0.64 POLB (0.48) ALDH1A1POLBNOTUMTDP1KMT2A
SCHEMBL14778436 0.63 ALDH1A1 (0.60) ALDH1A1POLBNOTUMTDP1KMT2A

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-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US claimed
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 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-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors DNPEP, ASPH, APP ALDH1A1 1491/4885POLB 1669/4885NOTUM 655/4885

“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.