SCHEMBL21933749

SCHEMBL21933749

CC(=O)NC(=O)CCc1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
CYP1A2 P05177 3/20 0.54
HCAR2 Q8TDS4 6/20 0.53
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDPK1 O15530 1/20 0.50
FFAR1 O14842 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
MAOA P21397 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL6172461 0.84 HDAC1 (0.57) HDAC1HDAC8CYP1A2HCAR2CYP3A4
SCHEMBL10362477 0.82 HDAC1 (0.77) HDAC1HDAC8CYP1A2HCAR2
SCHEMBL5236795 0.82 CYP1A2 (0.68) HDAC1HDAC8CYP1A2HCAR2CYP3A4
SCHEMBL6169879 0.80 ALDH1A1 (0.60) HDAC1HDAC8CYP1A2HCAR2CYP3A4
SCHEMBL7450980 0.80 ALDH1A1 (0.69) HDAC1HDAC8CYP1A2CYP3A4CYP2C9
SCHEMBL9404005 0.78 CYP1A2 (0.62) HDAC1HDAC8CYP1A2HCAR2CYP3A4
SCHEMBL7332873 0.78 CYP1A2 (0.66) HDAC1HDAC8CYP1A2HCAR2CYP3A4
SCHEMBL5348242 0.78 CYP1A2 (0.57) HDAC1HDAC8CYP1A2CYP3A4PDPK1
SCHEMBL761158 0.78 KDM4E (0.61) CYP1A2HIF1AALDH1A1KDM4ELMNA
SCHEMBL14401270 0.77 PDPK1 (0.47) HDAC1HDAC8CYP1A2HCAR2CYP3A4

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-11149066-B2 Thrombospondin 1-binding peptide DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-10-19 US disclosed
US-20200131230-A1 THROMBOSPONDIN 1-BINDING PEPTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-04-30 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 (2 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-11149066-B2 Thrombospondin 1-binding peptide SERPINC1, TEK, ARGLU1 HDAC1 1860/4885HDAC8 2591/4885CYP1A2 4728/4885
US-20200131230-A1 THROMBOSPONDIN 1-BINDING PEPTIDE SERPINC1, TEK, ARGLU1 HDAC1 1860/4885HDAC8 2591/4885CYP1A2 4728/4885

“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.