SCHEMBL9946124

SCHEMBL9946124

Cc1ccccc1C1OC(C)(C)C(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
HTR2C P28335 4/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
PBRM1 Q86U86 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL9946123 0.77 MEN1 (0.42) NPSR1HTR2CHTR2AHTR2BTSHR
SCHEMBL16615866 0.77 CYP3A4 (0.36) HTR2ATSHRL3MBTL1ALDH1A1
SCHEMBL9849476 0.77 TSHR (0.45) HTR2CHTR2AHTR2BTSHRACHE
SCHEMBL6672438 0.76 NPSR1 (0.42) NPSR1HTR2CHTR2AHTR2BTSHR
SCHEMBL31637123 0.74 CYP3A4 (0.48) HTR2CHTR2AHTR2BTSHRTAAR1
SCHEMBL687579 0.73 HTR2C (0.41) HTR2CHTR2AHTR2BTSHRACHE
SCHEMBL12153917 0.72 HTR2A (0.31) HTR2A
SCHEMBL14012479 0.71 HTR2C (0.40) NPSR1HTR2CHTR2AHTR2BTSHR
SCHEMBL6590588 0.71 HTR2C (0.44) HTR2CHTR2AHTR2BTSHRACHE
SCHEMBL9946129 0.71 CNR2 (0.35) DDB1CRBNPBRM1KDM4EHPGD

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 NPSR1 45/4885HTR2C 1/4885HTR2A 7/4885

“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.