SCHEMBL9941228

SCHEMBL9941228

CC(C)(C)c1ccc(C2C(=O)CCC2c2ccc(N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.44
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
EPHX2 P34913 1/20 0.35
ESRRG P62508 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL10298928 0.87 TSHR (0.46) PTGER2MAPTNPC1RAB9ASLC6A2
SCHEMBL10281610 0.81 SLC6A3 (0.39) MAPTALDH1A1HPGDSLC6A2CYP1A2
SCHEMBL10006223 0.80 PTGER2 (0.40) PTGER2MAPTALDH1A1RAB9AHPGD
SCHEMBL9939438 0.79 PTGER2 (0.47) PTGER2MAPTALDH1A1NPC1RAB9A
SCHEMBL10697564 0.76 PTGER2 (0.40) PTGER2SLC6A2SLC6A4SLC6A3DDB1
SCHEMBL10006033 0.75 PTGER2 (0.41) PTGER2RAB9ASLC6A2MEN1KMT2A
SCHEMBL10006070 0.70 NPC1 (0.39) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL10298882 0.69 SLC6A3 (0.41) SLC6A2MEN1KMT2ASLC6A4SLC6A3
SCHEMBL33319 0.69 RAB9A (0.73) MAPTALDH1A1NPC1RAB9AHPGD
Iodide SCHEMBL30608803 0.67 RAB9A (0.70) MAPTALDH1A1NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
EP-2651885-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-10-23 EP disclosed
CN-103354808-A Anti-viral compounds ABBVIE INC 2013-10-16 CN disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 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 (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-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PTGER2 4595/4885MAPT 2833/4885ALDH1A1 2858/4885

“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.