SCHEMBL15912482

SCHEMBL15912482

CCOC(=O)COc1ccc(Br)cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.53
ALDH1A1 P00352 7/20 0.51
POLB P06746 3/20 0.48
PABPC1 P11940 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL15897082 0.87 PTGDR2 (0.52) PTGDR2ALDH1A1POLBPABPC1APOBEC3A
SCHEMBL14108206 0.86 ALDH1A1 (0.53) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL1997089 0.86 PTGDR2 (0.69) PTGDR2ALDH1A1POLBPABPC1APOBEC3A
SCHEMBL2723239 0.86 ALDH1A1 (0.56) PTGDR2ALDH1A1POLBTSHRHSD17B10
SCHEMBL1993314 0.85 PTGDR2 (0.54) PTGDR2ALDH1A1POLBPABPC1APOBEC3A
SCHEMBL759639 0.84 GAA (0.53) PTGDR2ALDH1A1POLBTSHRCYP1A2
SCHEMBL13616954 0.84 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTHPGDMEN1
SCHEMBL3045010 0.84 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL1992123 0.84 PTGDR2 (0.53) PTGDR2ALDH1A1POLBPABPC1APOBEC3A
SCHEMBL16559854 0.83 ALDH1A1 (0.55) PTGDR2ALDH1A1POLBPABPC1APOBEC3A

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 PTGDR2 87/4885ALDH1A1 4135/4885POLB 4247/4885

“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.