SCHEMBL12705115

SCHEMBL12705115

O=C(OCCOC12CC3CC(CC(O)(C3)C1)C2)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
DPP4 P27487 3/20 0.36
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.33
HSD11B1 P28845 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL12705340 0.91 ALDH1A1 (0.36) ALDH1A1DPP4LMNANPSR1THRB
SCHEMBL12256166 0.80 PKM (0.38) ALDH1A1DPP4LMNANPSR1PKM
SCHEMBL686079 0.80 NPSR1 (0.35) ALDH1A1DPP4NPSR1PKMHSD11B1
SCHEMBL12705353 0.79 ALDH1A1 (0.40) ALDH1A1DPP4LMNANPSR1PKM
SCHEMBL22811877 0.78 THRB (0.40) ALDH1A1DPP4NPSR1PKMHSD11B1
SCHEMBL12705244 0.77 LMNA (0.46) ALDH1A1LMNAHSD11B1
SCHEMBL787018 0.77 ALDH1A1 (0.32) ALDH1A1NPSR1
SCHEMBL2758375 0.75 PKM (0.41) ALDH1A1DPP4LMNANPSR1PKM
SCHEMBL13613924 0.75 PKM (0.41) ALDH1A1DPP4NPSR1PKMHSD11B1
SCHEMBL685887 0.75 ALDH1A1 (0.35) ALDH1A1LMNANPSR1HSD11B1THRB

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 2111/4885DPP4 4646/4885LMNA 3534/4885

“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.