SCHEMBL29818784

SCHEMBL29818784

NCCC(O)c1cccc(OCCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15215133 1.00 FFAR1 (0.44) FFAR1NPC1RAB9ASIRT2KMT2A
SCHEMBL2206301 1.00 FFAR1 (0.44) FFAR1NPC1RAB9ASIRT2KMT2A
SCHEMBL4568873 0.86 ALOX5 (0.48) FFAR1KMT2ASMN1; SMN2
SCHEMBL29818763 0.86 KMT2A (0.58) KMT2ASMN1; SMN2
SCHEMBL2207119 0.86 KMT2A (0.58) KMT2ASMN1; SMN2
SCHEMBL2206280 0.86 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2
SCHEMBL29818808 0.86 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2
SCHEMBL15150955 0.86 KMT2A (0.46) KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL16030632 0.85 KMT2A (0.56) KMT2ASMN1; SMN2
SCHEMBL2204430 0.85 KMT2A (0.45) KMT2ASMN1; SMN2

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 2 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-11446261-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2022-09-20 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 (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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER FFAR1 582/4885NPC1 47/4885RAB9A 2120/4885
US-11446261-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER FFAR1 582/4885NPC1 47/4885RAB9A 2120/4885

“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.