SCHEMBL20988933

SCHEMBL20988933

O=C(CC1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.67
MAPT P10636 6/20 0.67
HSD17B10 Q99714 4/20 0.67
USP2 O75604 2/20 0.67
MAPK1 P28482 2/20 0.67
ALOX15 P16050 1/20 0.67
TP53 P04637 5/20 0.58
SCN9A Q15858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL20988886 0.91 ALDH1A1 (0.79) ALDH1A1MAPTHSD17B10USP2MAPK1
SCHEMBL28683338 0.89 MAPT (0.76) ALDH1A1MAPTHSD17B10USP2MAPK1
SCHEMBL20988932 0.85 ALDH1A1 (0.66) ALDH1A1MAPTHSD17B10USP2MAPK1
SCHEMBL4597501 0.83 MAPT (0.72) ALDH1A1MAPTHSD17B10MAPK1TP53
SCHEMBL20988781 0.83 MAPT (0.85) ALDH1A1MAPTHSD17B10USP2MAPK1
SCHEMBL20988945 0.83 ALDH1A1 (0.60) ALDH1A1MAPTHSD17B10USP2MAPK1
SCHEMBL28932884 0.80 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10USP2MAPK1
SCHEMBL20988872 0.79 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10TP53SCN9A
SCHEMBL20988869 0.79 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10TP53SCN9A
SCHEMBL20988874 0.79 ALDH1A1 (0.85) ALDH1A1MAPTHSD17B10TP53SCN9A

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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOG (US) 2019-05-09 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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS KRAS, NRAS, HRAS ALDH1A1 4716/4885MAPT 4750/4885HSD17B10 4764/4885

“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.