SCHEMBL2890956

SCHEMBL2890956

COCOc1cc(CO)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
PTGDR2 Q9Y5Y4 3/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
FYN P06241 1/20 0.36
EGFR P00533 1/20 0.35
HTT P42858 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
SCHEMBL4255554 0.84 NPC1 (0.48) CYP4F2CYP4A11NPC1POLBRAB9A
SCHEMBL3071677 0.83 CYP4F2 (0.54) CYP4F2CYP4A11PTGDR2NPC1POLB
SCHEMBL16957688 0.82 CYP4F2 (0.60) CYP4F2CYP4A11POLBHTT
SCHEMBL31163873 0.82 CYP4F2 (0.60) CYP4F2CYP4A11POLBHTT
SCHEMBL695880 0.82 CYP4F2 (0.64) CYP4F2CYP4A11NPC1POLBRAB9A
SCHEMBL30484271 0.82 CYP4F2 (0.64) CYP4F2CYP4A11NPC1POLBRAB9A
SCHEMBL6301878 0.81 POLB (0.56) NPC1POLBRAB9AFYNHTT
SCHEMBL334082 0.81 SLC22A12 (0.40) CYP4F2CYP4A11NPC1POLBRAB9A
SCHEMBL23673569 0.79 SLC6A4 (0.42) CYP4F2CYP4A11NPC1POLBRAB9A
SCHEMBL3907087 0.79 NPC1 (0.44) CYP4F2CYP4A11NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR CYP4F2 280/4885CYP4A11 801/4885PTGDR2 670/4885
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 CYP4F2 34/4885CYP4A11 33/4885PTGDR2 106/4885

“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.