SCHEMBL4201869

SCHEMBL4201869

CC(C)Cc1cc(Br)ccc1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.68
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGDR Q13258 1/20 0.49
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL4206934 0.86 PTGDR2 (0.50) PTGDR2TSHRTDP1NPC1MEN1
SCHEMBL5699506 0.84 PTGDR2 (0.77) PTGDR2TSHRPOLBCTDSP1TDP1
SCHEMBL4625499 0.83 PTGDR2 (0.79) PTGDR2TSHRPOLBCTDSP1TDP1
SCHEMBL3201339 0.81 PTGDR2 (1.00) PTGDR2TSHRPOLBCTDSP1TDP1
SCHEMBL6858506 0.80 PTGDR2 (0.74) PTGDR2TSHRPOLBCTDSP1TDP1
SCHEMBL3188075 0.79 PTGDR2 (0.61) PTGDR2TSHRPOLBCTDSP1TDP1
SCHEMBL11665638 0.78 L3MBTL1 (0.64) PTGDR2POLBTDP1L3MBTL1BCL2L1
SCHEMBL28339378 0.78 ALOX15 (0.50) PTGDR2TSHRTDP1L3MBTL1MEN1
SCHEMBL3198632 0.76 PTGDR2 (0.67) PTGDR2TSHRPOLBCTDSP1TDP1
SCHEMBL1615073 0.76 PKM (0.70) PTGDR2TSHRPOLBCTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 PTGDR2 2287/4885TSHR 4514/4885POLB 1543/4885

“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.