SCHEMBL22387246

SCHEMBL22387246

O=C1CCCCC2(CCCC1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.48
TRIM33 Q9UPN9 2/20 0.48
ALDH1A1 P00352 6/20 0.46
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.30

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
Cyclohexanone SCHEMBL28157352 0.98 ALDH1A1 (0.50) TRIM24TRIM33ALDH1A1POLBTDP1
SCHEMBL6242732 0.98 ALDH1A1 (0.50) TRIM24TRIM33ALDH1A1POLBTDP1
SCHEMBL22387250 0.96 ALDH1A1 (0.48) TRIM24TRIM33ALDH1A1POLBTDP1
SCHEMBL8603903 0.94 ALDH1A1 (0.46) TRIM24TRIM33ALDH1A1POLBTDP1
SCHEMBL12350017 0.93 TRIM24 (0.43) TRIM24TRIM33ALDH1A1POLBTDP1
SCHEMBL13276962 0.88 TRIM24 (0.39) TRIM24TRIM33ALDH1A1POLBTDP1
SCHEMBL14506033 0.86 TRIM24 (0.41) TRIM24TRIM33ALDH1A1POLBTDP1
SCHEMBL46361 0.82 KMT2A (0.34) TRIM24TRIM33ALDH1A1POLBKDM4E
Water SCHEMBL31387323 0.80 ALDH1A1 (0.33) TRIM24TRIM33ALDH1A1POLBKDM4E
SCHEMBL3499051 0.79 TRIM24 (0.33) TRIM24TRIM33ALDH1A1POLBKDM4E

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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD (CN) 2020-09-03 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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR IDO1, HDAC1, HDAC2 TRIM24 447/4885TRIM33 1574/4885ALDH1A1 570/4885

“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.