SCHEMBL23730549

SCHEMBL23730549

CC(C)C(=O)COC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SLC25A5 P05141 1/20 0.39
CYP1A2 P05177 3/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
SLC6A4 P31645 1/20 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
SCHEMBL16328281 0.81 POLB (0.50) POLBCYP1A2TSHRCYP2C19KMT2A
SCHEMBL9396561 0.79 CYP1A2 (0.46) POLBCYP1A2TSHRKMT2AHDAC3
SCHEMBL12401091 0.77 ALDH1A1 (0.48) POLBCYP1A2TSHRCYP3A4CYP2D6
SCHEMBL21132827 0.76 MAPT (0.40) POLBSLC25A5TSHRKMT2AHDAC3
SCHEMBL9396604 0.75 CYP1A2 (0.54) POLBCYP1A2TSHRCYP2C19ALDH1A1
SCHEMBL685354 0.74 POLB (0.50) POLBCYP1A2TSHRCYP3A4CYP2D6
SCHEMBL16708761 0.73 ALDH1A1 (0.40) POLBSLC25A5TSHRKMT2AMEN1
SCHEMBL10447563 0.70 ACHE (0.46) POLBCYP1A2TSHRCYP2C19SLC6A4
SCHEMBL23290956 0.70 POLB (0.36) POLBCYP1A2TSHRCYP3A4CYP2D6
SCHEMBL31296531 0.70 POLB (0.36) POLBCYP1A2TSHRCYP3A4CYP2D6

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-11584712-B2 Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide THE JOHNS HOPKINS UNIVERSITY (US) 2023-02-21 US disclosed
US-20210238134-A1 ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE NATIONAL SCIENCE FOUNDATION 2021-08-05 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-20210238134-A1 ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE CTH, DOHH, HAGH POLB 2534/4885SLC25A5 726/4885CYP1A2 2563/4885
US-11584712-B2 Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide CTH, DOHH, HAGH POLB 2534/4885SLC25A5 726/4885CYP1A2 2563/4885

“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.