SCHEMBL16726437

SCHEMBL16726437

C[C@H]1Oc2ccccc2N1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
P2RX4 Q99571 1/20 0.33
LTA4H P09960 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16726511 1.00 TSHR (0.33) TSHRCHRNB4CHRNA3ALDH1A1L3MBTL1
SCHEMBL10222509 0.74 SMN1; SMN2 (0.50) CHRNB4CHRNA3ALDH1A1L3MBTL1CHRNB2
SCHEMBL7144522 0.73 P2RX4 (0.32) P2RX4
SCHEMBL20027221 0.72 GPR3 (0.39) TSHRCHRNB4CHRNA3ALDH1A1L3MBTL1
SCHEMBL16728888 0.72 GPR3 (0.39) TSHRCHRNB4CHRNA3ALDH1A1L3MBTL1
SCHEMBL23031962 0.72 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL21013944 0.72 CHRM1 (0.31)
SCHEMBL14822283 0.72 GAA (0.35) ALDH1A1
SCHEMBL21901747 0.71 P2RX4 (0.34) TSHRCHRNB4CHRNA3ALDH1A1L3MBTL1
SCHEMBL16709153 0.69 TSHR (0.36) TSHRCHRNB4CHRNA3ALDH1A1L3MBTL1

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-10033000-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-07-24 US disclosed
US-20150137096-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-05-21 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-10033000-B2 Organic electroluminescent materials and devices LSM8, OPRM1, OXER1 TSHR 2879/4885CHRNB4 1395/4885CHRNA3 693/4885

“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.