SCHEMBL627470

SCHEMBL627470

CCN(C(C)=O)C(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
CTSK P43235 3/20 0.39
AAK1 Q2M2I8 1/20 0.39
CTSS P25774 1/20 0.39
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AOC3 Q16853 1/20 0.37

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
SCHEMBL627471 1.00 CYP1A2 (0.41) CYP1A2CYP2D6LMNAALDH1A1CYP3A4
SCHEMBL27781111 0.83 AOC3 (0.47) ALDH1A1CTSKAAK1CTSSATM
SCHEMBL18510031 0.83 ATM (0.42) ALDH1A1CTSKAAK1CTSSATM
SCHEMBL3730272 0.81 CHRM2 (0.41) CYP1A2CYP2D6LMNAALDH1A1CYP3A4
SCHEMBL3730271 0.81 CHRM2 (0.41) CYP1A2CYP2D6LMNAALDH1A1CYP3A4
SCHEMBL8535379 0.79 HTR2A (0.44) CYP1A2CYP2D6LMNAALDH1A1CYP3A4
SCHEMBL628344 0.79 NR1H2 (0.47) CYP1A2CYP2D6LMNAALDH1A1CYP3A4
SCHEMBL27855089 0.79 NR1H2 (0.47) CYP1A2CYP2D6LMNAALDH1A1CYP3A4
SCHEMBL628088 0.78 NR1H2 (0.44) CYP1A2CYP2D6LMNAALDH1A1CYP3A4
SCHEMBL27855088 0.78 NR1H2 (0.44) CYP1A2CYP2D6LMNAALDH1A1CYP3A4

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
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP1A2 2958/4885CYP2D6 3539/4885LMNA 3118/4885

“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.