SCHEMBL104059

SCHEMBL104059

CC(C)N(CCO)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.36
ADH1C P00326 2/20 0.36
ADH1B P00325 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10251781 0.98 ADH1A (0.39) ADH1AADH1CADH1BCYP1A2CYP2D6
SCHEMBL25701346 0.91 MAPT (0.32)
SCHEMBL27420655 0.86 ADH1A (0.37) ADH1AADH1CADH1BALDH1A1
SCHEMBL27420648 0.85 ADH1B (0.31) ADH1AADH1CADH1B
SCHEMBL25775271 0.83 SLC29A1 (0.31) CYP1A2CYP2D6
SCHEMBL17914491 0.80 ADH1A (0.45) ADH1AADH1CADH1B
SCHEMBL4382413 0.78 ADH1A (0.36) ADH1AADH1CADH1B
SCHEMBL736236 0.78 ADH1A (0.36) ADH1AADH1CADH1B
SCHEMBL27420646 0.78
SCHEMBL9927917 0.78 ADH1A (0.41) ADH1AADH1CADH1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218816-A1 NUCLEIC ACID VACCINES FOR CORONAVIRUS Suzhou Abogen Biosciences Co., Ltd. (CN) 2022-07-14 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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 (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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 ADH1A 2548/4885ADH1C 3254/4885ADH1B 2478/4885
US-20220218816-A1 NUCLEIC ACID VACCINES FOR CORONAVIRUS SARS1, POLRMT, SARNP ADH1A 3621/4885ADH1C 3825/4885ADH1B 1975/4885

“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.