SCHEMBL17722158

SCHEMBL17722158

CN(Cn1c2ccccc2c2ccccc21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP19A1 P11511 1/20 0.47
DNM1 Q05193 3/20 0.45
KDM4E B2RXH2 2/20 0.44
TSPO P30536 2/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
PER2 O15055 1/20 0.43
MAPK1 P28482 1/20 0.43
CRY1 Q16526 1/20 0.43
CRY2 Q49AN0 1/20 0.43
FABP4 P15090 2/20 0.42
FABP5 Q01469 2/20 0.42
FABP3 P05413 1/20 0.42
BACE1 P56817 3/20 0.41
ALDH1A1 P00352 1/20 0.40
GPR3 P46089 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
SCHEMBL13128051 0.80 CYP1A2 (0.52) CYP1A2CYP2C19CYP19A1DNM1KDM4E
SCHEMBL14328056 0.79 CYP1A2 (0.56) CYP1A2CYP2C19CYP19A1DNM1KDM4E
SCHEMBL25666405 0.73 CYP1A2 (0.48) CYP1A2CYP2C19CYP19A1DNM1KDM4E
SCHEMBL10067478 0.72 TSHR (0.57) CYP1A2CYP2C19CYP19A1DNM1KDM4E
SCHEMBL279090 0.68 MAPT (0.56) KDM4EMEN1LMNAKMT2AMAPK1
SCHEMBL11826363 0.68 CYP2D6 (0.59) CYP1A2CYP2C19DNM1KDM4EFABP4
SCHEMBL17943409 0.68 DNM1 (0.44) CYP1A2CYP2C19CYP19A1DNM1KDM4E
SCHEMBL151563 0.68 ALDH1A1 (0.75) CYP1A2CYP2C19CYP19A1KDM4EMEN1
SCHEMBL29360167 0.68 ALDH1A1 (0.75) CYP1A2CYP2C19CYP19A1KDM4EMEN1
SCHEMBL275114 0.68 KDM4E (0.48) CYP1A2CYP2C19CYP19A1KDM4EMEN1

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-20170331067-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY APPARATUS SAMSUNG SDI CO., LTD. (KR) 2017-11-16 US disclosed
US-20160126471-A1 ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-05-05 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-20170331067-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY APPARATUS ALDH1A2, AOX1, AOC2 CYP1A2 21/4885CYP2C19 50/4885CYP19A1 121/4885

“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.