SCHEMBL13439693

SCHEMBL13439693

COC(=O)CCCCCCCCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
MITF O75030 1/20 0.50
PTGER2 P43116 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HRH3 Q9Y5N1 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48

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
SCHEMBL9590169 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EGAAPOLB
SCHEMBL22696800 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EGAAPOLB
SCHEMBL9591243 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EGAAPOLB
SCHEMBL13264500 0.91 HDAC1 (0.48) ALDH1A1SMN1; SMN2KDM4EGAAKMT2A
SCHEMBL4275826 0.89 HDAC1 (0.56) ALDH1A1GAAKMT2ALMNAMAPT
SCHEMBL13439692 0.85 LTA4H (0.50) SMN1; SMN2POLBRAB9AHRH3MAPT
SCHEMBL7634827 0.85 HDAC3 (0.67) ALDH1A1SMN1; SMN2KDM4EGAAPOLB
SCHEMBL28925379 0.84 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2KDM4EGAAPOLB
SCHEMBL14566050 0.84 MAPT (0.56) ALDH1A1SMN1; SMN2GAARAB9AKMT2A
SCHEMBL13439716 0.83 LMNA (0.49) POLBLMNAHDAC1HDAC2

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-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 ALDH1A1 1978/4885SMN1; SMN2 3807/4885KDM4E 3641/4885

“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.