SCHEMBL1079673

SCHEMBL1079673

O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)CS(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
SCN9A Q15858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 2/20 0.36
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
ENPP2 Q13822 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 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
SCHEMBL961708 0.78 KMT2A (0.37) P2RX7ALDH1A1KMT2AMEN1NPC1
SCHEMBL27046406 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1SCN9AL3MBTL1
SCHEMBL18912896 0.74 HSD11B1 (0.34) ALDH1A1KMT2AMEN1GAASCN9A
SCHEMBL1079674 0.73 ALDH1A1 (0.40) P2RX7ALDH1A1KMT2AMEN1SCN9A
SCHEMBL1463078 0.73 P2RX7 (0.37) P2RX7ALDH1A1KMT2AMEN1NPC1
SCHEMBL1463079 0.73 KMT2A (0.40) P2RX7ALDH1A1KMT2AMEN1NPC1
SCHEMBL2248631 0.72 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1SCN9AL3MBTL1
SCHEMBL27046405 0.72 CA12 (0.44) ALDH1A1KMT2AMEN1SCN9AL3MBTL1
SCHEMBL242790 0.72 P2RX7 (0.36) P2RX7ALDH1A1KMT2AMEN1SCN9A
SCHEMBL10150822 0.72 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SCN9AL3MBTL1

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-20110014568-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-20 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-20110014568-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME RER1, REN, SSB P2RX7 2390/4885ALDH1A1 3377/4885KMT2A 1961/4885

“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.