SCHEMBL25677441

SCHEMBL25677441

CC(Cc1ccccc1)Cc1ccc(C(CO)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.55
TAAR1 Q96RJ0 5/20 0.43
ALOX5 P09917 1/20 0.42
SLC6A2 P23975 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC18A2 Q05940 1/20 0.39
CYP2D6 P10635 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
ADRA1D P25100 1/20 0.39

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
SCHEMBL759880 0.81 TAAR1 (0.61) TRPA1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL873143 0.81 TAAR1 (0.61) TRPA1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL9908239 0.81 TAAR1 (0.61) TRPA1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1911102 0.77 TRPA1 (0.65) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL94629 0.77 TRPA1 (0.65) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL358058 0.77 TRPA1 (0.65) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL4785594 0.77 SIGMAR1 (0.64) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL9186461 0.75 TAAR1 (0.59) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL8365210 0.74 ACP3 (0.50) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL28452098 0.74 TAAR1 (0.57) TRPA1TAAR1SLC6A2SIGMAR1MAOA

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-11730810-B2 Composition comprising an antigen and a substituted imidazo[1,2-a]pyrimidine for enhancing human immune response CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-08-22 US disclosed
US-11673891-B2 Imidazopyrimidine compounds and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-13 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 (2 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-11730810-B2 Composition comprising an antigen and a substituted imidazo[1,2-a]pyrimidine for enhancing human immune response CD4, MYD88, STING1 TRPA1 3270/4885TAAR1 3449/4885ALOX5 2815/4885
US-11673891-B2 Imidazopyrimidine compounds and uses thereof HLA-DRB1, HLA-A, IRF3 TRPA1 1438/4885TAAR1 3639/4885ALOX5 589/4885

“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.