SCHEMBL25857756

SCHEMBL25857756

CC(C)OCCOCc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.51
HTR1A P08908 3/20 0.51
HTR2C P28335 3/20 0.51
HTR2B P41595 2/20 0.51
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 2/20 0.51
ADRB1 P08588 1/20 0.51
ADRA2A P08913 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR1E P28566 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
CYP3A4 P08684 3/20 0.49
AHR P35869 1/20 0.49
GPR84 Q9NQS5 1/20 0.49

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
SCHEMBL12791843 0.86 HTR2A (0.58) HTR2AHTR1AHTR2CHTR2BHTR1D
SCHEMBL25864285 0.83 MEN1 (0.53) HTR2AHTR1AHTR2CHTR2BHTR1D
SCHEMBL25859302 0.83 MEN1 (0.53) HTR2AHTR1AHTR2CHTR2BHTR1D
SCHEMBL13374079 0.83 HTR2A (0.56) HTR2AHTR1AHTR2CHTR2BHTR1D
SCHEMBL25859304 0.80 MEN1 (0.53) HTR2AHTR1AHTR2CHTR2BHTR1D
SCHEMBL25862649 0.79 MEN1 (0.49) HTR2AHTR1AHTR6SLC6A4MEN1
SCHEMBL25864269 0.78 MEN1 (0.55) HTR2AHTR1AHTR2CHTR2BHTR1D
SCHEMBL25863136 0.78 MEN1 (0.47) HTR2AHTR1AHTR6SLC6A4MEN1
SCHEMBL3163672 0.78 MEN1 (0.58) HTR2AHTR1AHTR2CHTR2BHTR1D
SCHEMBL13610194 0.77 MTNR1A (0.50) HTR2AHTR1AHTR1DHTR1BMEN1

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-20230227476-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-20 US disclosed
US-20230227476-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-20 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 (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-20230227476-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF SLC30A5, SALL4, GLB1 HTR2A 4149/4885HTR1A 3962/4885HTR2C 3940/4885

“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.