SCHEMBL2756355

SCHEMBL2756355

COc1ccc(CC(CO)(CO)Cc2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.46
RELA Q04206 1/20 0.44
LMNA P02545 3/20 0.43
ALOX12 P18054 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
BCHE P06276 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3269847 0.93 ALDH1A1 (0.48) SMN1; SMN2ALOX12ALDH1A1TP53CYP3A4
SCHEMBL15314314 0.87 IDO1 (0.42) ACHEMAPTPOLBALDH1A1HPGD
SCHEMBL16424752 0.80 IDO1 (0.56) ACHESMN1; SMN2MAPTALOX12ALDH1A1
SCHEMBL12373188 0.76 LMNA (0.51) ACHESMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL24733328 0.76 CALM1 (0.49) SMN1; SMN2ALDH1A1ALOX15
SCHEMBL13038170 0.74 ACHE (0.71) ACHEMAPTRELALMNA
SCHEMBL3409810 0.74 ACHE (0.71) ACHEMAPTRELALMNAALDH1A1
Methyl Alcohol SCHEMBL20136156 0.73 ACHE (0.88) ACHESMN1; SMN2MAPTRELALMNA
SCHEMBL12464 0.73
SCHEMBL19182839 0.73 ACHE (1.00) ACHESMN1; SMN2MAPTRELALMNA

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-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 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 (8 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ACHE 3715/4885SMN1; SMN2 4141/4885MAPT 2833/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ACHE 3715/4885SMN1; SMN2 4141/4885MAPT 2833/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ACHE 3715/4885SMN1; SMN2 4141/4885MAPT 2833/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ACHE 3715/4885SMN1; SMN2 4141/4885MAPT 2833/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ACHE 3715/4885SMN1; SMN2 4141/4885MAPT 2833/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ACHE 3715/4885SMN1; SMN2 4141/4885MAPT 2833/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ACHE 3715/4885SMN1; SMN2 4141/4885MAPT 2833/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ACHE 3715/4885SMN1; SMN2 4141/4885MAPT 2833/4885

“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.