SCHEMBL3136895

SCHEMBL3136895

O=C(O)Cc1ccc(F)cc1OC[C@@H]1CO1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
CXCL8 P10145 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
PKM P14618 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MGLL Q99685 3/20 0.37
RBP4 P02753 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
VDR P11473 1/20 0.37

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
SCHEMBL4715136 1.00 ALDH1A1 (0.44) ALDH1A1GLACXCL8TDP1TSHR
SCHEMBL25309092 0.85 FFAR1 (0.42) ALDH1A1GLATDP1TSHRTP53
SCHEMBL25309095 0.85 FFAR1 (0.42) ALDH1A1GLATDP1TSHRTP53
SCHEMBL1790123 0.82 ALDH1A1 (0.49) ALDH1A1GLATDP1TSHRTP53
SCHEMBL1789834 0.81 ALDH1A1 (0.43) ALDH1A1GLATDP1TSHRTP53
SCHEMBL6206991 0.80 ALDH1A1 (0.46) ALDH1A1GLATDP1TSHRTP53
SCHEMBL1789837 0.78 ALDH1A1 (0.43) ALDH1A1GLAFFAR1FFAR4MGLL
SCHEMBL3143918 0.77 MAPT (0.49) ALDH1A1GLATDP1PTGDR2FFAR1
SCHEMBL18642464 0.77 CXCL8 (0.45) CXCL8TSHRPTGDR2PKMFFAR1
SCHEMBL1789839 0.76 ALDH1A1 (0.43) ALDH1A1GLATDP1TSHRTP53

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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 ALDH1A1 260/4885GLA 4477/4885CXCL8 942/4885

“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.