SCHEMBL4970917

SCHEMBL4970917

CN(C)CCCOc1ccc(C(=O)CCC(C)(C)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.60
THRB P10828 2/20 0.60
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
BCHE P06276 4/20 0.52
ACHE P22303 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
EGFR P00533 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
CACNA1B Q00975 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL14287619 0.83 THRA (0.74) THRATHRBALDH1A1KDM4EBCHE
SCHEMBL26054446 0.79 ALDH1A1 (0.58) THRATHRBALDH1A1KDM4EBCHE
SCHEMBL6057567 0.78 ALDH1A1 (0.63) THRATHRBALDH1A1KDM4EBCHE
SCHEMBL3279580 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL14287626 0.76 L3MBTL1 (0.73) THRATHRBALDH1A1KDM4EBCHE
SCHEMBL4966805 0.76 TP53 (0.63) ALDH1A1KDM4EBCHEACHESMN1; SMN2
SCHEMBL864407 0.76 THRA (0.72) THRATHRBALDH1A1BCHEACHE
SCHEMBL4968205 0.75 ALDH1A1 (0.60) THRATHRBALDH1A1KDM4EBCHE
SCHEMBL6630485 0.75 ALDH1A1 (0.60) THRATHRBALDH1A1KDM4EBCHE
SCHEMBL19659861 0.75 THRA (0.80) THRATHRBL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261975-A1 Tec Kinase Inhibitors BENTZIEN JOERG MARTIN 2008-10-23 US disclosed
EP-1957491-A2 PYRROLO (2,3-B) PYRIDINE DERIVATIVES USEFUL AS TEC KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-20 EP disclosed
WO-2007058832-A2 PYRROLO (2, 3-B) PYRIDINE DERIVATIVES USEFUL AS TEC KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-24 WO 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-20080261975-A1 Tec Kinase Inhibitors TEC, ITK, LCK THRA 1682/4885THRB 1468/4885ALDH1A1 3858/4885

“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.