SCHEMBL12194516

SCHEMBL12194516

C=C(C(C)C)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MITF O75030 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL12194518 1.00 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2AMEN1NCOA1
SCHEMBL681587 0.95 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1NCOA1
SCHEMBL681586 0.95 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1NCOA1
SCHEMBL681290 0.87 NTSR1 (0.50) ALDH1A1KMT2AMEN1MITFSMN1; SMN2
SCHEMBL681572 0.87 NTSR1 (0.50) ALDH1A1KMT2AMEN1MITFSMN1; SMN2
SCHEMBL681213 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2AMEN1NCOA1
SCHEMBL680954 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2AMEN1NCOA1
SCHEMBL12193945 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2AMEN1NCOA1
SCHEMBL16131097 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL12194517 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1KMT2AMEN1NPSR1

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-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 — — US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 — — 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-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 ALDH1A1 2573/4885L3MBTL1 2697/4885KMT2A 2785/4885

“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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