SCHEMBL13381007

SCHEMBL13381007

COc1ccccc1C1OCC(C)CO1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2B P41595 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
CYP19A1 P11511 1/20 0.43
DRD2 P14416 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11629567 0.84 HTR2C (0.44) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL10761583 0.83 HTR2C (0.49) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL13380953 0.83 HTR2C (0.43) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL14272740 0.83 HTR2C (0.43) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL13381276 0.81 CYP19A1 (0.43) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL13381250 0.81 DRD2 (0.46) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL5801397 0.80 HTR2C (0.46) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL9826178 0.80 HTR2C (0.46) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL13381350 0.79 DRD2 (0.47) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL935859 0.77 HTR2C (0.50) HTR2CHTR2AHTR2BMEN1KMT2A

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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 HTR2C 106/4885HTR2A 857/4885HTR2B 357/4885

“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.