SCHEMBL17847485

SCHEMBL17847485

CCCCc1ccccc1-c1ccccc1N=C=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
LIPG Q9Y5X9 1/20 0.36
PPARA Q07869 1/20 0.36
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
CYSLTR2 Q9NS75 5/20 0.33
CYSLTR1 Q9Y271 5/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL17847443 0.90 GABRA1 (0.44) CYP3A4CYP2D6CYP2C9GABRA1GABRB2
SCHEMBL29651833 0.87 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9GABRA1GABRB2
SCHEMBL993745 0.87 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9GABRA1GABRB2
SCHEMBL10435889 0.85 GABRA1 (0.53) CYP3A4CYP2D6GABRA1GABRB2PPARA
SCHEMBL2350176 0.82 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9GABRA1GABRB2
SCHEMBL5885474 0.81 LIPG (0.49) CYP3A4CYP2D6CYP2C9GABRA1GABRB2
SCHEMBL5885360 0.81 LIPG (0.49) CYP3A4CYP2D6CYP2C9GABRA1GABRB2
SCHEMBL10400982 0.81 LIPG (0.49) CYP3A4CYP2D6CYP2C9GABRA1GABRB2
SCHEMBL5885574 0.81 LIPG (0.49) CYP3A4CYP2D6CYP2C9GABRA1GABRB2
SCHEMBL5884676 0.81 LIPG (0.49) CYP3A4CYP2D6CYP2C9GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233791-B1 MOISTURE STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2020-08-12 EP disclosed
US-10329244-B2 Moisture-stable holographic media COVESTRO DEUTSCHLAND AG (DE) 2019-06-25 US disclosed
US-20170362165-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2017-12-21 US disclosed
EP-3233791-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA Covestro Deutschland AG (DE) 2017-10-25 EP disclosed
CN-107223121-A Wet stable holographic media 科思创德国股份有限公司 2017-09-29 CN disclosed
WO-2016096641-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2016-06-23 WO 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 (2 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-10329244-B2 Moisture-stable holographic media NEFM, MDM4, BHMT2 CYP3A4 3992/4885CYP2D6 2666/4885CYP2C9 4043/4885
US-20170362165-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA NEFM, MDM4, BHMT2 CYP3A4 3992/4885CYP2D6 2666/4885CYP2C9 4043/4885

“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.