SCHEMBL25822245

SCHEMBL25822245

CCCCCOc1cccc(OCCNC)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.59
HTR1D P28221 1/20 0.59
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 2/20 0.56
NSD2 O96028 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMPD1 P17405 3/20 0.52
GPBAR1 Q8TDU6 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
PLA2G4B P0C869 1/20 0.50
LTA4H P09960 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3687411 0.92 TSHR (0.61) HTR1BTSHRKMT2AKDM4ENSD2
SCHEMBL8088241 0.89 HTR1B (0.63) HTR1BHTR1DTSHRKMT2AKDM4E
SCHEMBL11663051 0.87 TSHR (0.72) TSHRKMT2ASMPD1GPBAR1PLA2G4B
SCHEMBL25822229 0.86 CYP1A2 (0.67) HTR1BHTR1DKMT2AKDM4ENSD2
SCHEMBL4208924 0.85 TSHR (0.76) TSHRSMPD1GPBAR1PLA2G4BLTA4H
SCHEMBL17138169 0.85 TSHR (0.76) TSHRSMPD1GPBAR1PLA2G4BLTA4H
SCHEMBL6677146 0.85 TSHR (0.76) TSHRSMPD1GPBAR1PLA2G4BLTA4H
SCHEMBL3905859 0.85 TSHR (0.76) TSHRSMPD1GPBAR1PLA2G4BLTA4H
SCHEMBL17138159 0.85 TSHR (0.76) TSHRSMPD1GPBAR1PLA2G4BLTA4H
SCHEMBL16699620 0.85 TSHR (0.76) TSHRSMPD1GPBAR1PLA2G4BLTA4H

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 HTR1B 960/4885HTR1D 1401/4885TSHR 2971/4885

“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.