SCHEMBL21571925

SCHEMBL21571925

CCCC(C)C(C(=O)O)C(C(=O)O)C(C)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.38
METAP1 P53582 1/20 0.38
ACE2 Q9BYF1 2/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37

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
SCHEMBL28090209 0.88 ALDH1A1 (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10305239 0.83 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL20753231 0.81 ALDH1A1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12271412 0.80 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3499612 0.78 ALDH1A1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13311446 0.78 ALDH1A1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2625119 0.76 ALDH1A1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7546505 0.76 ALDH1A1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8569856 0.76 TP53 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7546501 0.76 ALDH1A1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479853-B2 Surface-treated carbon nanotube and resin composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2019-11-19 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-10479853-B2 Surface-treated carbon nanotube and resin composition ACTN1, CD63, ACTN4 CHRM1 1778/4885AKR1A1 4065/4885CHRM3 1727/4885

“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.