SCHEMBL22838086

SCHEMBL22838086

Cc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 11/20 1.00
CYP26B1 Q9NR63 8/20 1.00
RARA P10276 5/20 0.51
RARB P10826 5/20 0.51
RARG P13631 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP3A4 P08684 2/20 0.51
PGR P06401 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TBXA2R P21731 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLVRB P30043 1/20 0.51
RXRA P19793 8/20 0.49
HDAC3 O15379 1/20 0.49

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
SCHEMBL8445083 0.83 CYP26A1 (0.73) CYP26A1CYP26B1RARARARBRARG
SCHEMBL22838045 0.80 CYP26A1 (0.67) CYP26A1CYP26B1RARARARBRARG
SCHEMBL22838114 0.80 CYP26A1 (1.00) CYP26A1CYP26B1RARARARBRARG
SCHEMBL22838088 0.78 CYP26A1 (1.00) CYP26A1CYP26B1MEN1KMT2AALDH1A1
SCHEMBL5538662 0.76 RXRA (0.64) CYP26A1CYP26B1RARARARBRARG
SCHEMBL6890868 0.75 RXRA (0.79) CYP26A1CYP26B1RARARARBRARG
SCHEMBL1074782 0.75 RXRA (0.62) CYP26A1CYP26B1RARARARBRARG
SCHEMBL5534931 0.74 RXRA (0.72) CYP26A1CYP26B1RARARARBRARG
SCHEMBL6147894 0.73 RXRA (0.64) CYP26A1CYP26B1RARARARBRARG
SCHEMBL6890777 0.73 CYP2C9 (0.60) CYP26A1CYP26B1RARARARBRARG

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 CYP26A1 3/4885CYP26B1 1/4885RARA 16/4885
US-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes CYP2A6, CYP27A1, CYP26B1 CYP26A1 4/4885CYP26B1 3/4885RARA 40/4885
US-20210220326-A1 Compounds and Methods for Inhibiting CPY26 Enzymes CYP2A6, CYP27A1, CYP26B1 CYP26A1 4/4885CYP26B1 3/4885RARA 26/4885

“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.