SCHEMBL3314728

SCHEMBL3314728

CCC(CCC=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.56
MAPK1 P28482 1/20 0.56
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
SLC1A2 P43004 4/20 0.43
SLC1A1 P43005 4/20 0.43
SLC1A3 P43003 3/20 0.43
GCLC P48506 2/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL3486600 0.87 CA2 (0.63) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL8349477 0.84 CHRM1 (0.70) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL28122638 0.81 CA2 (0.61) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL3120810 0.80 CA2 (0.54) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL11074406 0.80 CA2 (0.54) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL27392095 0.80 CA2 (0.54) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL8011717 0.80 CA2 (0.57) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL125406 0.80 CA2 (0.71) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL10677559 0.78 CA2 (0.47) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL7176194 0.78 CA2 (0.52) CA2MAPK1CHRM1AKR1A1CHRM3

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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US claimed
CN-108884029-B LSD1 inhibitors 米拉蒂医疗股份有限公司 2021-10-26 CN disclosed
WO-2018132876-A1 NOVEL GLYCINE TRANSPORT INHIBITORS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF SYDNEY (AU) 2018-07-26 WO disclosed
US-4897477-A ANTITUMOR ALKALOIDS UNIVERSITY OF VERMONT & STATE AGRICULTURAL COLLEGE (US) 1990-01-30 US disclosed
US-4841045-A ANTITUMOR AGENTS UNIVERSITY OF VERMONT & STATE AGRICULTURAL COLLEGE (US) 1989-06-20 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 CA2 2768/4885MAPK1 2315/4885CHRM1 4021/4885

“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.