SCHEMBL16624823

SCHEMBL16624823

CCCOC(=O)C[C@@H](C)c1c(O)ncnc1O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.35
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
HTT P42858 1/20 0.33
ACACB O00763 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL16624820 0.84 L3MBTL1 (0.35) ALDH1A1TDP1ACACBTAS1R3TAS1R1
SCHEMBL16626878 0.75 FFAR1 (0.38) ALDH1A1TSHRHTTKMT2ALMNA
SCHEMBL133737 0.68 MMP1 (0.42) ALDH1A1TDP1
SCHEMBL5599080 0.68 FAAH (0.49) ALDH1A1TSHRSLC6A2LMNAMAPK1
SCHEMBL28676786 0.67 HSD17B10 (0.43) ALDH1A1TDP1LMNAMAPK1L3MBTL1
SCHEMBL28771817 0.67 HSD17B10 (0.43) ALDH1A1TDP1LMNAMAPK1L3MBTL1
SCHEMBL1455380 0.67 HSD17B10 (0.43) ALDH1A1TDP1LMNAMAPK1L3MBTL1
SCHEMBL16457459 0.66 ALDH1A1 (0.32) ALDH1A1HTT
SCHEMBL17468965 0.65 NAAA (0.38) ALDH1A1TDP1TSHRESR1CHRM1
SCHEMBL21811406 0.65 NAAA (0.38) ALDH1A1TDP1TSHRESR1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861583-B1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2016-06-29 EP disclosed
US-9309204-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-04-12 US disclosed
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
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 ALDH1A1 768/4885TDP1 1157/4885TSHR 3644/4885

“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.