SCHEMBL2988271

SCHEMBL2988271

CCOC(=O)C1CCC(c2ccc(NC(=O)OC(C)(C)C)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KCNQ4 P56696 3/20 0.42
KCNQ5 Q9NR82 3/20 0.42
HPGD P15428 1/20 0.40
CYP17A1 P05093 1/20 0.40
MDM2 Q00987 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
BRAF P15056 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2988268 1.00 ALDH1A1 (0.43) ALDH1A1KMT2ATSHRMEN1KCNQ4
SCHEMBL13247945 1.00 ALDH1A1 (0.43) ALDH1A1KMT2ATSHRMEN1KCNQ4
SCHEMBL2516499 0.86 CYP17A1 (0.43) KMT2AKCNQ4KCNQ5CYP17A1BRAF
SCHEMBL13345937 0.83 ALDH1A1 (0.45) ALDH1A1KMT2ATSHRMEN1HPGD
SCHEMBL2999891 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRMEN1HPGD
SCHEMBL2999895 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRMEN1HPGD
SCHEMBL13247959 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRMEN1HPGD
SCHEMBL13247975 0.83 HRH3 (0.47) ALDH1A1TSHRNPC1GAA
SCHEMBL13247944 0.82 ALDH1A1 (0.44) ALDH1A1KMT2ATSHRMEN1HPGD
SCHEMBL13247957 0.82 ALDH1A1 (0.40) ALDH1A1KMT2ATSHRMEN1HPGD

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-20100184813-A1 CHEMICAL COMPOUNDS 553 ASTRAZENECA AB (SE) 2010-07-22 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-20100184813-A1 CHEMICAL COMPOUNDS 553 GCGR, DGAT1, GPBAR1 ALDH1A1 559/4885KMT2A 1048/4885TSHR 445/4885

“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.