SCHEMBL22838071

SCHEMBL22838071

CCC(CC)(C(=O)OC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.73
ALDH1A1 P00352 3/20 0.73
RECQL P46063 1/20 0.49
CYP2C19 P33261 2/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MGLL Q99685 2/20 0.46
MAPT P10636 5/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL22838063 0.86 ALDH1A1 (0.58) POLBALDH1A1MAPTBCL9CTNNB1
SCHEMBL2385323 0.85 POLB (0.61) POLBALDH1A1RECQLCYP2C19HDAC3
SCHEMBL10965695 0.81 ALDH1A1 (0.63) POLBALDH1A1RECQLCYP2C19MAPT
SCHEMBL429356 0.79 ALDH1A1 (0.65) POLBALDH1A1RECQLCYP2C19MAPT
SCHEMBL3528826 0.79 ALDH1A1 (0.65) POLBALDH1A1RECQLCYP2C19MAPT
SCHEMBL8926455 0.79 POLB (0.65) POLBALDH1A1RECQLCYP2C19MAPT
SCHEMBL8801283 0.78 POLB (0.63) POLBALDH1A1RECQLCYP2C19MAPT
SCHEMBL8924832 0.78 ALDH1A1 (0.63) POLBALDH1A1RECQLCYP2C19MAPT
SCHEMBL22838091 0.77 ALDH1A1 (0.43) POLBALDH1A1CYP2C19HDAC1MAPT
SCHEMBL7717482 0.76 POLB (0.61) POLBALDH1A1RECQLCYP2C19MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-06-21 US disclosed
US-20210220326-A1 Compounds and Methods for Inhibiting CPY26 Enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-07-22 US disclosed
US-10874634-B2 Compounds and methods for inhibiting CYP26 enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-12-29 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 (3 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-10874634-B2 Compounds and methods for inhibiting CYP26 enzymes CYP26B1, CYP2A6, CYP26A1 POLB 1323/4885ALDH1A1 110/4885RECQL 1338/4885
US-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes CYP2A6, CYP27A1, CYP26B1 POLB 1876/4885ALDH1A1 700/4885RECQL 1461/4885
US-20210220326-A1 Compounds and Methods for Inhibiting CPY26 Enzymes CYP2A6, CYP27A1, CYP26B1 POLB 2078/4885ALDH1A1 772/4885RECQL 1698/4885

“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.