SCHEMBL12257883

SCHEMBL12257883

Cc1ccc(C=O)c(OP)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ERN1 O75460 2/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
SRC P12931 1/20 0.40
ACHE P22303 1/20 0.39
CYP2A6 P11509 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
TRIM24 O15164 1/20 0.35
TYR P14679 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35

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
SCHEMBL96209 0.82 ALDH1A1 (0.66) ALDH1A1NPSR1ERN1KDM4EACHE
SCHEMBL29951947 0.82 ALDH1A1 (0.66) ALDH1A1NPSR1ERN1KDM4EACHE
SCHEMBL27460529 0.80 ALDH1A1 (0.50) ALDH1A1NPSR1ERN1KDM4EGAA
SCHEMBL12257884 0.78 CYP3A4 (0.38) ALDH1A1ACHECYP2A6CA1CA2
SCHEMBL8709785 0.78 ALDH1A1 (0.43) ALDH1A1NPSR1ERN1KDM4EGAA
SCHEMBL14682417 0.78 ALDH1A1 (0.55) ALDH1A1NPSR1ERN1KDM4EGAA
SCHEMBL1748693 0.77 LMNA (0.51) ALDH1A1NPSR1ERN1KDM4EGAA
SCHEMBL17871710 0.77 ALDH1A1 (0.42) ALDH1A1NPSR1ERN1KDM4EGAA
SCHEMBL28526096 0.77 ALDH1A1 (0.44) ALDH1A1NPSR1ERN1KDM4EGAA
SCHEMBL9391327 0.77 ALDH1A1 (0.48) ALDH1A1NPSR1ERN1KDM4EGAA

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-8022248-B2 3-[2-(3-Cyanophenoxy)-4-(trifluoromethyl)phenyl]propanoic acid;prostaglandin D2 inhibitor, orphan receptor CRTH2 antagonist; antiinflammatory, analgesic, antipyretic; respiratory system disorders: asthma and rhinitis; coupling amino/thio-phenyl derivatives with ester followed by hydrolysis to acid ASTRAZENECA AB (SE) 2011-09-20 US disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 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-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 ALDH1A1 1551/4885NPSR1 80/4885ERN1 3795/4885

“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.