SCHEMBL21790668

SCHEMBL21790668

CCCCC(CCC)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.38
CA1 P00915 4/20 0.38
ALDH1A1 P00352 3/20 0.33
DNM1 Q05193 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.32
PLA2G2C Q5R387 2/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL18893418 0.93 OPRM1 (0.36) CA2CA1DNM1TSHR
SCHEMBL18893422 0.90 TAS1R3 (0.30)
SCHEMBL25888208 0.86 ZDHHC7 (0.39) CA2DNM1TSHR
SCHEMBL18893510 0.86 CA2 (0.42) CA2CA1ALDH1A1DNM1CYP3A4
SCHEMBL24191894 0.85 ALDH1A1 (0.40) CA2CA1ALDH1A1TSHRMAPK1
SCHEMBL25907446 0.85 CA1 (0.34) CA2CA1ALDH1A1DNM1CYP3A4
SCHEMBL25907447 0.85 CA1 (0.34) CA2CA1ALDH1A1DNM1CYP3A4
SCHEMBL25907449 0.85 CA1 (0.34) CA2CA1ALDH1A1DNM1CYP3A4
SCHEMBL14266734 0.82 ALDH1A1 (0.41) CA2CA1ALDH1A1MAPK1PLA2G2C
SCHEMBL25522121 0.81

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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 CA2 3229/4885CA1 4205/4885ALDH1A1 1049/4885

“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.