SCHEMBL23944960

SCHEMBL23944960

CCCCOC(=O)Nc1cc(C)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.66
GAA P10253 3/20 0.66
ALDH1A1 P00352 3/20 0.66
LMNA P02545 2/20 0.66
TSHR P16473 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 4/20 0.55
TP53 P04637 2/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL10192134 0.87 CYP1A2 (0.71) L3MBTL1GAAALDH1A1LMNATSHR
SCHEMBL14513419 0.84 NLRP3 (0.65) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL11659268 0.84 ALDH1A1 (0.80) L3MBTL1GAAALDH1A1LMNATSHR
SCHEMBL21059189 0.83 SMN1; SMN2 (0.68) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL8108517 0.81 PLK1 (0.63) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL11660382 0.80 HPGD (0.70) L3MBTL1GAAALDH1A1LMNATSHR
SCHEMBL6129365 0.80 CYP1A2 (0.60) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL9423801 0.80 TDP1 (1.00) L3MBTL1GAAALDH1A1LMNATSHR
SCHEMBL21059187 0.79 L3MBTL1 (0.63) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL17502667 0.78 KMT2A (0.58) L3MBTL1GAAALDH1A1LMNATSHR

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-20210323913-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-10-21 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-20210323913-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 L3MBTL1 881/4885GAA 3181/4885ALDH1A1 431/4885

“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.