SCHEMBL4374764

SCHEMBL4374764

c1ccc(OC23CCC(CC2)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 2/20 0.33
HRH1 P35367 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
LTA4H P09960 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
DGAT1 O75907 1/20 0.32
HTR6 P50406 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL21186203 0.81 ALDH1A1 (0.37) TSHRALDH1A1RAB9AGAA
SCHEMBL1397175 0.71 MAOB (0.34) CHRNA7
SCHEMBL1130234 0.68 HRH1 (0.31) HRH1CHRNA7HTR3A
SCHEMBL1130836 0.68 HRH1 (0.31) HRH1
SCHEMBL20270422 0.66 LTA4H (0.43) SLC6A4SLC6A3SLC6A2HRH1HTR1A
SCHEMBL3223091 0.66 CHRNA7 (0.38) SLC6A3SLC6A2CHRNA7HTR3ATSHR
SCHEMBL6053771 0.66 GRIN2D (0.50)
SCHEMBL24177909 0.65 SLC6A2 (0.38) SLC6A4SLC6A3SLC6A2HRH1DDB1
SCHEMBL13875064 0.64 CA4 (0.39) SLC6A4SLC6A3SLC6A2HRH1HTR1A
SCHEMBL27520666 0.63 FAAH (0.44) ALDH1A1GAA

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-3971804-A ACARICIDES, FUNGICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US claimed
US-20090012324-A1 Process for Production of Carboxylic Acid Ester or Ether Compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-01-08 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-20090012324-A1 Process for Production of Carboxylic Acid Ester or Ether Compound TECR, CA14, ACSL4 SLC6A4 2510/4885SLC6A3 3183/4885SLC6A2 3301/4885

“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.