SCHEMBL17847443

SCHEMBL17847443

CCCc1ccccc1-c1ccccc1N=C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
CYP3A4 P08684 4/20 0.43
PPARA Q07869 2/20 0.36
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
DAO P14920 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
TRPA1 O75762 1/20 0.32
PPARG P37231 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
HTR1A P08908 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17847485 0.90 CYP3A4 (0.43) GABRA1GABRB2CYP3A4PPARACYP2D6
SCHEMBL10435889 0.88 GABRA1 (0.53) GABRA1GABRB2CYP3A4PPARACYP2D6
SCHEMBL93143 0.86 GABRA1 (0.50) GABRA1GABRB2CYP3A4PPARACYP2D6
SCHEMBL8858812 0.82 CYP3A4 (0.44) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
SCHEMBL3223815 0.82 CYP3A4 (0.38) GABRA1GABRB2CYP3A4
SCHEMBL112824 0.80 CYP3A4 (0.56) GABRA1GABRB2CYP3A4TRPA1PPARG
SCHEMBL17847467 0.79 CYP3A4 (0.41) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL17472982 0.78 GABRA1 (0.50) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL11732170 0.78 GABRA1 (0.59) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL28477580 0.78 CYP3A4 (0.40) GABRA1GABRB2CYP3A4CYP2C9

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 5 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
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 GABRA1 4791/4885GABRB2 4845/4885CYP3A4 3992/4885
US-20170362165-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA NEFM, MDM4, BHMT2 GABRA1 4791/4885GABRB2 4845/4885CYP3A4 3992/4885

“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.