SCHEMBL23979233

SCHEMBL23979233

CC(C)C(=O)Cc1ccc([Si](F)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
TSHR P16473 2/20 0.40
CES1 P23141 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 1/20 0.37
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL331007 0.80 TSHR (0.57) CYP1A2TSHRCES1CYP2D6CYP2C9
SCHEMBL27018419 0.80 CYP1A2 (0.37) CYP1A2TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL13197240 0.78 POLB (0.45) CYP1A2TSHRCES1CES2AKR1B1
SCHEMBL2625190 0.78 LMNA (0.62) CYP1A2TSHRCYP2D6ALDH1A1HPGD
SCHEMBL22823989 0.77 CYP1A2 (0.36) CYP1A2TSHRCES1CYP3A4CYP2D6
SCHEMBL10137814 0.75 CA2 (0.56) TSHRAKR1B1ALDH1A1HPGDMAPT
SCHEMBL23979234 0.74 CES2 (0.41) CYP1A2TSHRCES1CYP3A4CYP2D6
SCHEMBL24618751 0.74 ALOX5 (0.42) TSHRCYP2D6CYP2C9LMNAPTGS1
Phosphonic Acid SCHEMBL11615478 0.74 TSHR (0.50) CYP1A2TSHRCES1CYP2D6CYP2C9
SCHEMBL14462168 0.73 MAPT (0.48) CYP1A2TSHRCYP2D6ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 US disclosed
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 US disclosed
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-04-13 US disclosed
US-20220233726-A1 NOVEL RADIOLABELLED COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE-SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-28 US disclosed
US-20210338851-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2021-11-04 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 (4 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-20210338851-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 CYP1A2 4456/4885TSHR 515/4885CES1 3793/4885
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C CYP1A2 4564/4885TSHR 1149/4885CES1 2323/4885
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 CYP1A2 4456/4885TSHR 515/4885CES1 3793/4885
US-20220233726-A1 NOVEL RADIOLABELLED COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE-SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER KLK3, FOLH1, HRH3 CYP1A2 2036/4885TSHR 132/4885CES1 2006/4885

“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.