SCHEMBL20988932

SCHEMBL20988932

O=C(CC1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
MAPT P10636 8/20 0.64
HSD17B10 Q99714 5/20 0.64
ALOX15 P16050 2/20 0.64
USP2 O75604 1/20 0.64
MAPK1 P28482 1/20 0.64
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.52
TP53 P04637 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
CBX7 O95931 1/20 0.49
CDYL Q9Y232 1/20 0.49
CDY1; CDY1B Q9Y6F8 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL20989295 0.85 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10ALOX15USP2
SCHEMBL20988933 0.85 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10ALOX15USP2
SCHEMBL20988945 0.85 ALDH1A1 (0.60) ALDH1A1MAPTHSD17B10ALOX15USP2
SCHEMBL20988886 0.84 ALDH1A1 (0.79) ALDH1A1MAPTHSD17B10ALOX15USP2
SCHEMBL20988765 0.81 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10ALOX15USP2
SCHEMBL28683338 0.80 MAPT (0.76) ALDH1A1MAPTHSD17B10ALOX15USP2
SCHEMBL24836230 0.78 ALDH1A1 (0.75) ALDH1A1MAPTHSD17B10ALOX15USP2
SCHEMBL28932884 0.78 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10ALOX15USP2
SCHEMBL20988871 0.77 TP53 (0.62) ALDH1A1MAPTHSD17B10ALOX15USP2
SCHEMBL28932885 0.75 ALDH1A1 (0.77) ALDH1A1MAPTHSD17B10ALOX15USP2

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.