SCHEMBL16624810

SCHEMBL16624810

COC(=O)CC(C)C(C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CA14 Q9ULX7 3/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 2/20 0.33
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KCNA5 P22460 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
MME P08473 1/20 0.31

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
SCHEMBL16624811 1.00 TSHR (0.40) TSHRSMN1; SMN2MGAMGAASI
SCHEMBL5077875 0.83 TSHR (0.50) TSHRSMN1; SMN2MGAMGAASI
SCHEMBL5081302 0.83 TSHR (0.50) TSHRSMN1; SMN2MGAMGAASI
SCHEMBL16624813 0.82 CA1 (0.35) SMN1; SMN2HSD17B10MAPTCA1CA2
SCHEMBL16624816 0.82 CA1 (0.35) SMN1; SMN2HSD17B10MAPTCA1CA2
SCHEMBL3389649 0.82 SMN1; SMN2 (0.48) TSHRSMN1; SMN2MGAMGAASI
SCHEMBL3389644 0.82 SMN1; SMN2 (0.48) TSHRSMN1; SMN2MGAMGAASI
SCHEMBL16624815 0.82 SMN1; SMN2 (0.38) TSHRSMN1; SMN2CA14CA12KMT2A
SCHEMBL17679175 0.82 TSHR (0.40) TSHRMGAMGAASIMGAM2
SCHEMBL11651911 0.80 TSHR (0.39) TSHRSMN1; SMN2MGAMGAASI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309204-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-04-12 US disclosed
US-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS GENETECH, INC. (US) 2015-04-09 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-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS PIK3CA, DHPS, PIK3CD TSHR 3644/4885SMN1; SMN2 3946/4885MGAM 4227/4885

“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.