SCHEMBL9944290

SCHEMBL9944290

CCOc1c(OC(C)C)cc(C(=O)Nc2ccc(C=O)c(F)c2)cc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
GAA P10253 2/20 0.48
MAPT P10636 7/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.42
MCHR1 Q99705 1/20 0.41

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
SCHEMBL9944336 0.88 TP53 (0.51) TP53GAAMAPTKMT2AALDH1A1
SCHEMBL12825265 0.86 TP53 (0.53) TP53GAAMAPTMEN1KMT2A
SCHEMBL9944289 0.85 PLAU (0.46) GAAMAPTMEN1KMT2ALMNA
SCHEMBL1457817 0.84 TP53 (0.51) TP53GAAMAPTMEN1KMT2A
SCHEMBL1458098 0.83 TP53 (0.50) TP53GAAMAPTMEN1KMT2A
SCHEMBL12824876 0.82 PLAU (0.50) TP53GAAMAPTMEN1KMT2A
SCHEMBL9944288 0.82 RAB9A (0.49) TP53GAAMAPTMEN1KMT2A
SCHEMBL9944331 0.82 RAB9A (0.49) TP53GAAMAPTMEN1KMT2A
SCHEMBL9944329 0.81 KCNQ3 (0.46) TP53GAAMAPTMEN1KMT2A
SCHEMBL1459193 0.78 GAA (0.58) TP53GAAMAPTMEN1KMT2A

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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TP53 533/4885GAA 149/4885MAPT 150/4885

“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.