SCHEMBL25820080

SCHEMBL25820080

CCCCCOc1cccc(CCCNN)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.56
KCNH2 Q12809 2/20 0.55
TSHR P16473 1/20 0.54
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
DHFR P00374 6/20 0.49
GGPS1 O95749 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL25821806 0.89 KDM4E (0.56) CYP2D6KCNH2KDM4EALDH1A1
SCHEMBL25821832 0.87 CYP2D6 (0.57) CYP2D6KCNH2TSHRCNR1CNR2
SCHEMBL4568871 0.86 PPARA (0.61) CYP2D6KCNH2TSHRCNR1CNR2
SCHEMBL17509810 0.85 PPARA (0.68) CYP2D6KCNH2TSHRCNR1CNR2
SCHEMBL17509804 0.85 PPARA (0.68) CYP2D6KCNH2TSHRCNR1CNR2
SCHEMBL17509791 0.85 PPARA (0.68) CYP2D6KCNH2TSHRCNR1CNR2
SCHEMBL17509796 0.85 PPARA (0.68) CYP2D6KCNH2TSHRCNR1CNR2
SCHEMBL17509797 0.85 PPARA (0.68) CYP2D6KCNH2TSHRCNR1CNR2
SCHEMBL17509789 0.85 PPARA (0.68) CYP2D6KCNH2TSHRCNR1CNR2
SCHEMBL17509795 0.85 PPARA (0.68) CYP2D6KCNH2TSHRCNR1CNR2

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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 (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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3632/4885KCNH2 4102/4885TSHR 2971/4885

“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.