SCHEMBL23974176

SCHEMBL23974176

CC(C)(C)Cc1ccc(C#CC#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
CYP2A6 P11509 1/20 0.36
ESR2 Q92731 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.34
ACACB O00763 2/20 0.33
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30
ALOX5AP P20292 1/20 0.30

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
SCHEMBL6964903 0.79 CYP2A6 (0.58) ESR1CYP2A6ESR2THRATHRB
SCHEMBL23964496 0.79 ATM (0.37) ESR1HRH3
SCHEMBL26000614 0.78 CYP2A6 (0.61) CYP2A6LOXL2ACACB
SCHEMBL18387739 0.76 ESR1 (0.54) ESR1ESR2THRATHRBACACB
SCHEMBL6292237 0.76 APP (0.38) CYP2A6LOXL2
SCHEMBL19174207 0.74 CYP1A1 (0.48) CYP2A6SLC6A2SLC6A4SLC6A3CYP1A1
SCHEMBL16381567 0.74 KIF11 (0.57) ESR1CYP2A6LOXL2HRH3
SCHEMBL24450404 0.74 LOXL2 (0.53) ESR1CYP2A6ESR2THRATHRB
SCHEMBL16346792 0.74 TRPA1 (0.37) CYP2A6LOXL2CYP1A1CYP1A2CYP1B1
SCHEMBL6685103 0.73 ESR1 (0.74) ESR1ESR2THRATHRBSLC6A2

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-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 US disclosed
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. 2023-08-10 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20210338834-A1 DEGRADABLE HYALURONIC ACID HYDROGELS ASCENDIS PHARMA A/S (DK) 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 (5 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-20210338834-A1 DEGRADABLE HYALURONIC ACID HYDROGELS CD44, HPSE, MMP13 ESR1 3459/4885CYP2A6 624/4885ESR2 4188/4885
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R ESR1 1940/4885CYP2A6 2567/4885ESR2 3167/4885
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, FCGR3B, FCGR2A ESR1 1706/4885CYP2A6 4637/4885ESR2 1929/4885
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, ASGR1, FCGR3B ESR1 1706/4885CYP2A6 4354/4885ESR2 2012/4885
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES ASGR1, LAMP2, FCGR2A ESR1 2850/4885CYP2A6 3728/4885ESR2 2760/4885

“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.