SCHEMBL11061351

SCHEMBL11061351

CCCC(CCC)C(O)=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
NFKB1 P19838 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL7512545 0.89 CA2 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7515469 0.88
SCHEMBL5597641 0.87 CHRM1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6413695 0.87 GRIK1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7524695 0.86
SCHEMBL7511769 0.85 CA2 (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7513051 0.85 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL18281636 0.85 CA2 (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7509833 0.85 CA2 (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7507487 0.80 CA2 (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270771-A1 Compound containing phosphate group, pharmaceutical composition containing same, preparation method therefor and use thereof SHANGHAI RAISING PHARMACEUTICAL CO., LTD. (CN) 2024-08-15 US claimed
WO-2022242629-A1 COMPOUND CONTAINING PHOSPHATE GROUP, PHARMACEUTICAL COMPOSITION CONTAINING SAME, PREPARATION METHOD THEREFOR AND USE THEREOF 上海日馨医药科技股份有限公司 2022-11-24 WO disclosed
US-4483869-A DETOXIFICATION OF THE LIVER, BURNS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1984-11-20 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 (1 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-20240270771-A1 Compound containing phosphate group, pharmaceutical composition containing same, preparation method therefor and use thereof NOTUM, INPP5A, PYGB CHRM1 4312/4885AKR1A1 2031/4885CHRM3 4536/4885

“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.