SCHEMBL25822241

SCHEMBL25822241

CCCCCOc1cccc(OCCNN)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
KMT2A Q03164 1/20 0.55
CYP2D6 P10635 3/20 0.53
CYP1A2 P05177 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMPD1 P17405 3/20 0.51
PLA2G4B P0C869 2/20 0.49
GPBAR1 Q8TDU6 2/20 0.49
LTA4H P09960 1/20 0.49
NR1H4 Q96RI1 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL25822263 0.90 CYP1A2 (0.51) TSHRKMT2ACYP2D6CYP1A2MAPK1
SCHEMBL25822227 0.87 CYP1A2 (0.65) TSHRKMT2ACYP2D6CYP1A2MAPK1
SCHEMBL11663051 0.86 TSHR (0.72) TSHRKMT2ASMPD1PLA2G4BGPBAR1
SCHEMBL25822245 0.85 HTR1B (0.59) TSHRKMT2ACYP2D6CYP1A2MAPK1
SCHEMBL6677146 0.84 TSHR (0.76) TSHRSMPD1PLA2G4BGPBAR1LTA4H
SCHEMBL4208924 0.84 TSHR (0.76) TSHRSMPD1PLA2G4BGPBAR1LTA4H
SCHEMBL16699620 0.84 TSHR (0.76) TSHRSMPD1PLA2G4BGPBAR1LTA4H
SCHEMBL17138169 0.84 TSHR (0.76) TSHRSMPD1PLA2G4BGPBAR1LTA4H
SCHEMBL3905859 0.84 TSHR (0.76) TSHRSMPD1PLA2G4BGPBAR1LTA4H
SCHEMBL17138159 0.84 TSHR (0.76) TSHRSMPD1PLA2G4BGPBAR1LTA4H

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 TSHR 2971/4885KMT2A 3008/4885CYP2D6 3632/4885

“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.