SCHEMBL25819240

SCHEMBL25819240

CNCCOc1cc(OCC2CCCCC2)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.47
PARP15 Q460N3 4/20 0.47
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
HTR1B P28222 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ELANE P08246 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL25822152 0.89 PARP10 (0.49) PARP10PARP15MAOAMAOBBRD4
SCHEMBL4568914 0.85 PARP10 (0.50) PARP10PARP15MAOAMAOBBRD4
SCHEMBL2202355 0.84 PARP10 (0.52) PARP10PARP15MAOAMAOB
SCHEMBL29819076 0.84 PARP10 (0.52) PARP10PARP15MAOAMAOB
SCHEMBL25819210 0.81 HTR1B (0.50) HTR1BCARM1PRMT6NOS3NOS1
SCHEMBL18721737 0.81 HTR1B (0.50) HTR1BCARM1PRMT6NOS3NOS1
SCHEMBL19291642 0.81 HTR1B (0.50) HTR1BCARM1PRMT6NOS3NOS1
SCHEMBL2207488 0.81 PARP10 (0.47) PARP10PARP15BRD4CREBBPKEAP1
SCHEMBL19291799 0.80 HTR1B (0.51) HTR1BCARM1PRMT6NOS3NOS1
SCHEMBL25819231 0.79 KDM4E (0.40) PARP10PARP15MAOAMAOBHTR1B

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 PARP10 1846/4885PARP15 2575/4885MAOA 443/4885

“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.