SCHEMBL3196268

SCHEMBL3196268

C=C(C)C(=O)Nc1ccc(C(C)(C)c2ccc(OP(=O)(O)Oc3ccc(C(C)(C)c4ccc(NC(=O)C(=C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
TRPV1 Q8NER1 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RECQL P46063 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BLM P54132 1/20 0.35
BAZ1A Q9NRL2 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL3193392 0.92 RXFP1 (0.44) RXFP1TRPV1TDP1POLBL3MBTL1
SCHEMBL3204085 0.91 RXFP1 (0.46) RXFP1TRPV1TDP1POLBL3MBTL1
SCHEMBL3188455 0.90 RXFP1 (0.53) RXFP1TDP1POLBL3MBTL1NPC1
SCHEMBL3187430 0.88 TDP1 (0.41) RXFP1TDP1POLBL3MBTL1NPC1
SCHEMBL3187581 0.86 RXFP1 (0.49) RXFP1TDP1MEN1KMT2AALDH1A1
SCHEMBL3189020 0.83 RXFP1 (0.46) RXFP1TDP1POLBL3MBTL1NPC1
SCHEMBL3190667 0.83 SAE1 (0.48) RXFP1TDP1POLBMEN1KMT2A
SCHEMBL907017 0.82 RXFP1 (0.53) RXFP1TDP1POLBL3MBTL1NPC1
SCHEMBL3200420 0.82 PKM (0.44) RXFP1POLBMEN1KMT2AALDH1A1
SCHEMBL3187371 0.82 RXFP1 (0.51) RXFP1TDP1POLBL3MBTL1NPC1

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-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-02-04 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-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION CAD, PPIP5K2, SLC20A1 RXFP1 4811/4885TRPV1 308/4885TDP1 4028/4885

“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.