SCHEMBL21100345

SCHEMBL21100345

CCC(CC)COc1cccc(C(O)C(N)CN)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AOC3 Q16853 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
SCN4A P35499 2/20 0.36

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
SCHEMBL19262548 1.00 MAPK1 (0.38) MAPK1KDM4ETDP1AOC3TSHR
SCHEMBL20332600 0.90 HIF1A (0.39) MAPK1TSHRHIF1A
SCHEMBL18550905 0.88 AOC3 (0.39) MAPK1AOC3TSHRHIF1A
SCHEMBL13881750 0.86 TSHR (0.38) MAPK1KDM4EAOC3TSHRHIF1A
SCHEMBL2206399 0.86 TSHR (0.38) MAPK1KDM4EAOC3TSHRHIF1A
SCHEMBL29818647 0.86 TSHR (0.38) MAPK1KDM4EAOC3TSHRHIF1A
SCHEMBL19291709 0.86 TSHR (0.38) MAPK1KDM4EAOC3TSHRHIF1A
SCHEMBL20295212 0.86 TSHR (0.38) MAPK1KDM4EAOC3TSHRHIF1A
SCHEMBL18539795 0.83 TSHR (0.41) MAPK1KDM4EAOC3TSHRHIF1A
SCHEMBL4568792 0.82 TSHR (0.40) MAPK1KDM4EAOC3TSHRHIF1A

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-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-10639286-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2020-05-05 US disclosed
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2019-06-20 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 (3 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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885KDM4E 2349/4885TDP1 499/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885KDM4E 2349/4885TDP1 499/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885KDM4E 2349/4885TDP1 499/4885

“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.