SCHEMBL17816474

SCHEMBL17816474

O=C1CCCOC1(O)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL16369888 0.83 ALDH1A1 (0.46) DDB1CRBNALDH1A1
SCHEMBL28055381 0.76 DDB1 (0.64) DDB1CRBNALDH1A1KMT2ACYP3A4
SCHEMBL28055405 0.76 DDB1 (0.64) DDB1CRBNALDH1A1KMT2ACYP3A4
SCHEMBL7608143 0.74 ALDH1A1 (0.49) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL7378336 0.72 ALDH1A1 (0.46) DDB1CRBNALDH1A1KMT2AMEN1
SCHEMBL5319955 0.71 DDB1 (0.51) DDB1CRBNALDH1A1
SCHEMBL2125064 0.71 DDB1 (0.54) DDB1CRBNALDH1A1
SCHEMBL18255040 0.70 DDB1 (0.53) DDB1CRBNALDH1A1KMT2ACYP3A4
SCHEMBL14537683 0.70 DDB1 (0.50) DDB1CRBNALDH1A1
SCHEMBL4962412 0.70 DDB1 (0.56) DDB1CRBNALDH1A1KMT2AMAPK1

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-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 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-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS DDB1 279/4885CRBN 1931/4885ALDH1A1 3872/4885

“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.