SCHEMBL6446695

SCHEMBL6446695

CC(C)(C)C(=O)NCCCCC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA3 P07451 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.40
DRD4 P21917 7/20 0.39
DRD2 P14416 6/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 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
SCHEMBL7292154 0.98 MEN1 (0.45) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL260600 0.94 POLB (0.47) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL2845918 0.85 POLB (0.42) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL18622113 0.85 POLB (0.57) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL26161761 0.84 EPHX1 (0.48) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL10633351 0.83 MEN1 (0.58) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL9355210 0.80 POLB (0.57) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL16316312 0.80 POLB (0.50) POLBALDH1A1SMN1; SMN2CA3CA5A
SCHEMBL24709159 0.78 TSHR (0.40) EPHX1KDM4ETSHRMAPK1HIF1A
SCHEMBL260275 0.78 POLB (0.38) POLBALDH1A1SMN1; SMN2CA3CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 POLB 1584/4885ALDH1A1 889/4885SMN1; SMN2 1200/4885

“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.