SCHEMBL21882882

SCHEMBL21882882

COC(=O)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.66
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX2 P34913 1/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.44
GFER P55789 1/20 0.43
GLA P06280 1/20 0.43
KLK7 P49862 1/20 0.43
MEN1 O00255 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
SCHEMBL21359165 0.88 DRD2 (0.64) DRD2ABL1RIN1MTNR1AMTNR1B
SCHEMBL4189987 0.86 DRD2 (0.51) DRD2ABL1RIN1ALDH1A1GAA
SCHEMBL21359049 0.86 DRD2 (0.63) DRD2ABL1RIN1MTNR1AMTNR1B
SCHEMBL7484802 0.85 DRD2 (0.61) DRD2ABL1RIN1MTNR1AMTNR1B
SCHEMBL21359371 0.83 DRD2 (0.56) DRD2ABL1RIN1MTNR1AMTNR1B
SCHEMBL29626821 0.82 ALDH1A1 (0.62) ABL1RIN1ALDH1A1GAAMAPT
SCHEMBL198282 0.82 ALDH1A1 (0.62) ABL1RIN1ALDH1A1GAAMAPT
SCHEMBL7532262 0.82 DRD2 (0.58) DRD2ABL1RIN1MTNR1AMTNR1B
SCHEMBL4183160 0.82 DRD2 (0.47) DRD2ABL1RIN1ALDH1A1GAA
SCHEMBL3119147 0.81 DRD2 (0.56) DRD2ALDH1A1GAAHTTLMNA

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 DRD2 400/4885ABL1 215/4885RIN1 4575/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR DRD2 400/4885ABL1 215/4885RIN1 4575/4885

“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.