SCHEMBL5880941

SCHEMBL5880941

COc1cccc(CCC(=O)C2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HRH3 Q9Y5N1 3/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
POLB P06746 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5880700 0.91 MTNR1A (0.47) ALDH1A1HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL5880829 0.83 FFAR1 (0.57) POLB
SCHEMBL9663109 0.82 MAPK1 (0.51) ALDH1A1HDAC1HDAC6HRH3MTNR1A
SCHEMBL26637816 0.81 ALDH1A1 (0.60) ALDH1A1POLBKMT2A
SCHEMBL2046622 0.80 CTBP2 (0.55) ALDH1A1MTNR1AMTNR1BPOLBSIGMAR1
SCHEMBL7332474 0.79 TAAR1 (0.61) HDAC1HDAC6MTNR1AMTNR1BTAAR1
SCHEMBL29092220 0.78 ALDH1A1 (0.57) ALDH1A1HRH3MTNR1AMTNR1BTAAR1
SCHEMBL5880787 0.78 EPHX2 (0.52) ALDH1A1TAAR1KMT2A
SCHEMBL28572234 0.78 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2A
SCHEMBL268552 0.77 RAB9A (0.69) ALDH1A1HDAC1HDAC6MTNR1AMTNR1B

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-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 ALDH1A1 729/4885HDAC1 871/4885HDAC6 895/4885

“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.