SCHEMBL12412410

SCHEMBL12412410

COc1ccc(Oc2ccccc2C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 1/20 0.55
LTA4H P09960 2/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EZH2 Q15910 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL278540 0.86 RIPK1 (0.53) ALDH1A1HTTL3MBTL1MAPK1LTA4H
SCHEMBL12862911 0.85 L3MBTL1 (0.45) ALDH1A1HTTL3MBTL1MAPK1LTA4H
SCHEMBL13939528 0.84 LPAR1 (0.49) ALDH1A1HTTL3MBTL1MAPK1LTA4H
SCHEMBL28367828 0.83 ALDH1A1 (0.53) ALDH1A1HTTL3MBTL1MAPK1GAA
SCHEMBL30500977 0.81 ALDH1A1 (0.48) ALDH1A1HTTLMNAGAACYP1A2
SCHEMBL127278 0.81 ALDH1A1 (0.48) ALDH1A1HTTLMNAGAACYP1A2
SCHEMBL12401774 0.80 FFAR1 (0.43) ALDH1A1HTTL3MBTL1MAPK1GAA
SCHEMBL8569226 0.79 EZH2 (0.40) ALDH1A1HTTL3MBTL1MAPK1GAA
SCHEMBL29771456 0.79 CA2 (0.57) ALDH1A1HTTL3MBTL1MAPK1LMNA
SCHEMBL142899 0.79 CA2 (0.57) ALDH1A1HTTL3MBTL1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 ALDH1A1 1374/4885HTT 3023/4885L3MBTL1 3011/4885

“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.