SCHEMBL29818655

SCHEMBL29818655

NCCOc1cccc(OCC(O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
LTA4H P09960 2/20 0.47
PLA2G2A P14555 1/20 0.47
SCN4A P35499 2/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL19291477 1.00 TAAR1 (0.53) TAAR1LTA4HPLA2G2ASCN4ALMNA
SCHEMBL2206118 1.00 TAAR1 (0.53) TAAR1LTA4HPLA2G2ASCN4ALMNA
SCHEMBL15150952 0.88 TAAR1 (0.53) TAAR1LTA4HPLA2G2ATSHRMAPK1
SCHEMBL4568924 0.85 KMT2A (0.51) LMNATSHRMAPK1
SCHEMBL29818635 0.84 LTA4H (0.43) LTA4HSCN4A
SCHEMBL2206536 0.84 LTA4H (0.43) LTA4HSCN4A
SCHEMBL19291816 0.84 LTA4H (0.43) LTA4HSCN4A
SCHEMBL10635980 0.81 MAOB (0.54) LTA4HSCN4ALMNATSHR
SCHEMBL610432 0.80 TAAR1 (0.47) TAAR1LTA4HPLA2G2A
SCHEMBL19291721 0.80 CYP4F2 (0.44) TAAR1

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 TAAR1 1482/4885LTA4H 216/4885PLA2G2A 1526/4885
US-11446261-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER TAAR1 1482/4885LTA4H 216/4885PLA2G2A 1526/4885

“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.