SCHEMBL3149801

SCHEMBL3149801

CC(C)(OCCO)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 2/20 0.50
IDO1 P14902 1/20 0.36
RECQL P46063 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
JAK2 O60674 1/20 0.34
GAA P10253 1/20 0.34
CA2 P00918 3/20 0.33
CA1 P00915 1/20 0.32
TP53 P04637 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALOX15 P16050 3/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL3156865 0.87 ALDH1A1 (0.52) ALDH1A1TDP1TSHRRECQLKDM4E
SCHEMBL3158866 0.81 ALDH1A1 (0.54) ALDH1A1TDP1TSHRIDO1RECQL
SCHEMBL2494529 0.81 ALDH1A1 (0.43) ALDH1A1TDP1TSHRIDO1RECQL
Di(Hydroxyethyl)Ether SCHEMBL9694545 0.78 ALDH1A1 (0.50) ALDH1A1TDP1TSHRIDO1RECQL
SCHEMBL3154579 0.77 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCA2CA1
SCHEMBL2491938 0.75 KIF11 (0.46) ALDH1A1TDP1TSHRIDO1RECQL
SCHEMBL4217975 0.75 ALDH1A1 (0.54) ALDH1A1RECQLKDM4ELMNAMAPT
SCHEMBL10786904 0.74 ALDH1A1 (0.60) ALDH1A1TDP1TSHRRECQLKDM4E
SCHEMBL11514536 0.74 TSHR (0.38) ALDH1A1TDP1TSHRIDO1RECQL
SCHEMBL18121309 0.71 ALDH1A1 (0.56) ALDH1A1TDP1TSHRRECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
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
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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 (2 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 1978/4885TDP1 905/4885TSHR 1134/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 ALDH1A1 1978/4885TDP1 905/4885TSHR 1134/4885

“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.