SCHEMBL13367231

SCHEMBL13367231

CCCCCCCCC(CCCCCCC)c1ccc(C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.49
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.41
HSD17B3 P37058 5/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
BDKRB2 P30411 1/20 0.41
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
GPR84 Q9NQS5 2/20 0.39

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
SCHEMBL16168059 1.00 NR1I2 (0.49) NR1I2GAAKMT2AHSD17B3HDAC8
SCHEMBL12172229 0.97 NR1I2 (0.47) NR1I2GAAKMT2AHSD17B3HDAC8
SCHEMBL18800441 0.97 NR1I2 (0.47) NR1I2GAAKMT2AHSD17B3HDAC8
SCHEMBL12337676 0.93 NR1I2 (0.57) NR1I2GAAKMT2AHSD17B3HDAC8
SCHEMBL25334303 0.88 NR1I2 (0.43) NR1I2GAAKMT2AHSD17B3HDAC8
SCHEMBL11739471 0.86 S1PR2 (0.47) GAAGPR84
SCHEMBL10955282 0.86 TP53 (0.54) NR1I2KMT2ATP53TSHR
SCHEMBL10956897 0.86 TP53 (0.54) NR1I2KMT2ATP53TSHR
SCHEMBL10960609 0.86 TP53 (0.54) NR1I2KMT2ATP53TSHR
SCHEMBL10957775 0.86 TP53 (0.54) NR1I2KMT2ATP53TSHR

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-20100120686-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2010-05-13 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-20100120686-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP NR1I2 4794/4885GAA 2685/4885KMT2A 1481/4885

“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.