SCHEMBL12705353

SCHEMBL12705353

O=C(COC(=O)C(F)F)OC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MDH1 P40925 1/20 0.33
MDH2 P40926 1/20 0.33
CYP19A1 P11511 1/20 0.33
PKM P14618 1/20 0.33
DPP4 P27487 1/20 0.32
THRB P10828 1/20 0.32
HSD11B1 P28845 2/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
USP2 O75604 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL12256166 0.85 PKM (0.38) ALDH1A1LMNAL3MBTL1CYP19A1PKM
SCHEMBL12705266 0.85 CYP19A1 (0.43) ALDH1A1LMNACYP19A1THRBNPSR1
SCHEMBL12705340 0.84 ALDH1A1 (0.36) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL950652 0.83 ALDH1A1 (0.39) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL14929416 0.83 L3MBTL1 (0.36) ALDH1A1LMNAL3MBTL1MDH1MDH2
SCHEMBL14727924 0.83 ALDH1A1 (0.36) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL949707 0.82 ALDH1A1 (0.39) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL950538 0.82 ALDH1A1 (0.39) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL686291 0.80 ALDH1A1 (0.36) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL12705343 0.80 ALDH1A1 (0.38) ALDH1A1LMNANPC1RAB9AL3MBTL1

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 ALDH1A1 2111/4885LMNA 3534/4885NPC1 3799/4885

“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.