SCHEMBL23657663

SCHEMBL23657663

Cn1c(CCC(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)nc2ccccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.56
HDAC8 Q9BY41 1/20 0.53
MAPT P10636 3/20 0.52
ALDH1A1 P00352 5/20 0.48
USP2 O75604 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACKR3 P25106 4/20 0.44
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL15203577 0.69 TRPM5 (0.53) HDAC6HDAC8MAPTALDH1A1USP2
SCHEMBL9262855 0.68 SMN1; SMN2 (0.65) HDAC6HDAC8MAPTALDH1A1USP2
SCHEMBL26523474 0.67 ALDH1A1 (0.65) HDAC6MAPTALDH1A1ALOX15MAPK1
SCHEMBL18017411 0.67 HDAC6 (0.71) HDAC6HDAC8MAPTALDH1A1USP2
SCHEMBL5772949 0.66 HDAC6 (0.69) HDAC6HDAC8MAPTALDH1A1ALOX15
SCHEMBL5739868 0.66 HDAC6 (0.69) HDAC6HDAC8MAPTALDH1A1USP2
SCHEMBL17088213 0.66 HDAC6 (0.68) HDAC6HDAC8MAPTALDH1A1USP2
SCHEMBL11447775 0.65 HDAC6 (0.68) HDAC6HDAC8MAPTALDH1A1USP2
SCHEMBL3818640 0.64 HDAC6 (0.66) HDAC6HDAC8MAPTALDH1A1USP2
SCHEMBL28004438 0.64 KDM4E (0.65) HDAC6HDAC8MAPTALDH1A1USP2

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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA HDAC6 2021/4885HDAC8 561/4885MAPT 4875/4885

“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.