SCHEMBL25823623

SCHEMBL25823623

CCc1cccc(Cl)c1COc1cccc(CCCNI)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CYP2D6 P10635 4/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
MGLL Q99685 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
NR4A2 P43354 1/20 0.37
RAB9A P51151 1/20 0.37
SOD1 P00441 1/20 0.37

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
SCHEMBL25823626 0.79 CHRM2 (0.49) BCHEMTNR1AMTNR1B
SCHEMBL4568933 0.78 PPARA (0.50) BCHECYP2D6PPARGPPARAMGLL
SCHEMBL25825938 0.75 SLC22A12 (0.46) BCHEMTNR1AMTNR1B
SCHEMBL12110018 0.74 SOD1 (0.52) BCHESOD1
SCHEMBL2204528 0.72 SMN1; SMN2 (0.46) BCHEMGLL
SCHEMBL25823652 0.72 NPC1 (0.42) S1PR3S1PR5NPC1NR4A2RAB9A
SCHEMBL25821826 0.71 KDM4E (0.56) BCHEMTNR1AMTNR1BCYP2D6
SCHEMBL18551298 0.70 CYP2D6 (0.57) CYP2D6PPARGPPARA
SCHEMBL27945322 0.68 SMN1; SMN2 (0.47) BCHE
SCHEMBL2207614 0.67 RAB9A (0.48) RAB9A

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 BCHE 1649/4885MTNR1A 93/4885MTNR1B 92/4885

“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.