SCHEMBL12705000

SCHEMBL12705000

O=C(OC1CCCCCCC1)C(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
CYP19A1 P11511 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CYP2C19 P33261 1/20 0.40
NAAA Q02083 2/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
MMP9 P14780 2/20 0.35
MMP12 P39900 2/20 0.35
MMP1 P03956 1/20 0.35
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL11991797 1.00 EPHX1 (0.45) EPHX1CYP19A1L3MBTL1CA12CA1
SCHEMBL12704999 1.00 EPHX1 (0.45) EPHX1CYP19A1L3MBTL1CA12CA1
SCHEMBL11991795 0.98 CYP19A1 (0.42) EPHX1CYP19A1L3MBTL1CA12CA1
SCHEMBL12704998 0.93 CYP19A1 (0.39) EPHX1CYP19A1L3MBTL1CA12CA1
Phosphoric Acid SCHEMBL31078044 0.90 CYP19A1 (0.38) EPHX1CYP19A1L3MBTL1CA12CA1
SCHEMBL21272748 0.88
SCHEMBL6327749 0.84 CYP19A1 (0.41) EPHX1CYP19A1L3MBTL1CA12CA1
SCHEMBL17281530 0.83 CYP19A1 (0.50) EPHX1CYP19A1L3MBTL1CA12CA1
SCHEMBL29163208 0.83 CYP19A1 (0.42) EPHX1CYP19A1L3MBTL1CA12CA1
SCHEMBL8984845 0.82 CYP19A1 (0.53) EPHX1CYP19A1L3MBTL1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110091808-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 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-20110091808-A1 PHOTORESIST COMPOSITION ASIC1, ASIC3, SUN2 EPHX1 1664/4885CYP19A1 4371/4885L3MBTL1 4149/4885

“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.