SCHEMBL12424283

SCHEMBL12424283

CCC1CCCN(C(=O)CC2CCCO2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
NAMPT P43490 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL15014609 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAL3MBTL1CYP3A4
SCHEMBL13308126 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAL3MBTL1CYP3A4
SCHEMBL18082558 0.80 ALDH1A1 (0.41) ALDH1A1LMNANAMPTKMT2AMEN1
SCHEMBL12384811 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAL3MBTL1CYP3A4
SCHEMBL21581035 0.79 POLB (0.45) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL26286141 0.78 KDM4E (0.41) ALDH1A1KDM4ELMNAL3MBTL1CYP3A4
SCHEMBL26286625 0.78 KDM4E (0.41) ALDH1A1KDM4ELMNAL3MBTL1CYP3A4
SCHEMBL13686205 0.77 MEN1 (0.46) ALDH1A1KDM4ELMNAHPGDKMT2A
SCHEMBL22875137 0.74 KDM4E (0.46) ALDH1A1KDM4ELMNAL3MBTL1CYP3A4
SCHEMBL24182540 0.74 ALDH1A1 (0.65) ALDH1A1LMNAHPGDKMT2AMEN1

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ALDH1A1 1168/4885KDM4E 2333/4885LMNA 1043/4885

“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.