SCHEMBL21883385

SCHEMBL21883385

CCCCOc1ccc(C(CC2CCC(=O)C2)C(=O)OC)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ATM Q13315 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ MAPT P10636 1/20 0.37
▸ NLRP1 Q9C000 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL21820744 0.85 GCK (0.47) GCKSLC6A3THRB
SCHEMBL2643176 0.85 SLC6A3 (0.50) GCKSLC6A3
SCHEMBL28770976 0.82 GCK (0.47) GCKSLC6A3
SCHEMBL21882874 0.79 GCK (0.65) GCKSLC6A3
SCHEMBL2643141 0.79 GCK (0.65) GCKSLC6A3
SCHEMBL2642151 0.73 GCK (0.57) GCKSLC6A3
SCHEMBL2650793 0.72 SLC6A3 (0.58) LMNASLC6A3
SCHEMBL21820769 0.71 SLC6A3 (0.46) GCKTAS1R3TAS1R1SLC6A3
SCHEMBL7804061 0.70 CACNA1B (0.47) L3MBTL1TDP1LMNAPPARGPPARA
SCHEMBL2648746 0.70 SLC6A3 (0.62) GCKLMNASLC6A3CYP1A2CYP3A4

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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 — — US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 — — 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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules PAH, DBH, AHR GCK 2811/4885ALDH1A1 415/4885L3MBTL1 2788/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR GCK 2811/4885ALDH1A1 415/4885L3MBTL1 2788/4885

“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.

Send feedback