SCHEMBL20177076

SCHEMBL20177076

c1ccc(-c2ccc(-c3ccc(C(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACP3 P15309 2/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGS2 P35354 1/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL17692405 1.00 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1CYP3A4L3MBTL1
SCHEMBL15780715 1.00 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1CYP3A4L3MBTL1
SCHEMBL26472468 1.00 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1CYP3A4L3MBTL1
SCHEMBL19628359 1.00 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1CYP3A4L3MBTL1
SCHEMBL17885889 1.00 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1CYP3A4L3MBTL1
SCHEMBL10246778 0.98 CHRNB2 (0.47) CHRNB2CHRNA4ALDH1A1CYP3A4L3MBTL1
SCHEMBL18104284 0.98 ALDH1A1 (0.46) CHRNB2CHRNA4ALDH1A1CYP3A4L3MBTL1
SCHEMBL12888129 0.98 ALDH1A1 (0.46) CHRNB2CHRNA4ALDH1A1CYP3A4L3MBTL1
SCHEMBL2704141 0.98 ALDH1A1 (0.46) CHRNB2CHRNA4ALDH1A1CYP3A4L3MBTL1
SCHEMBL19784817 0.98 ALDH1A1 (0.46) CHRNB2CHRNA4ALDH1A1CYP3A4L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210028376-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-01-28 US disclosed
US-20180145262-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2018-05-24 US disclosed
US-20180145262-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2018-05-24 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-20180145262-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, TYR CHRNB2 969/4885CHRNA4 616/4885ALDH1A1 1643/4885

“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.