SCHEMBL12765327

SCHEMBL12765327

CCCCOc1c(-c2ccccc2)cccc1-c1cccc(C(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.52
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 1/20 0.49
NR1H4 Q96RI1 4/20 0.46
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
SYK P43405 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
PTGER1 P34995 1/20 0.41

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
SCHEMBL12646998 0.85 PTPN11 (0.46) PTPN11LMNAHPGDRAB9ANR1H4
SCHEMBL1638061 0.83 MAOB (0.62) LMNAHPGDMAOBL3MBTL1PTGER1
SCHEMBL12765498 0.82 PTPN11 (0.47) PTPN11LMNANR1H4KDM4EMAPT
SCHEMBL12646896 0.80 CCNE2 (0.47) PTPN11LMNAKDM4EMAPTTDP1
SCHEMBL1449798 0.80 MAPT (0.53) NR1H4MAOBMAPTPTGER1
SCHEMBL30575453 0.78 PTPN11 (0.49) PTPN11LMNANR1H4MAPTL3MBTL1
SCHEMBL11511175 0.78 PTPN11 (0.54) PTPN11KDM4ETDP1L3MBTL1HDAC8
SCHEMBL7644233 0.77 PLA2G4B (0.57) PTPN11NR1H4HDAC8
SCHEMBL12646856 0.77 PTPN11 (0.43) PTPN11LMNAKDM4EMAPTTDP1
SCHEMBL16215971 0.76 PTPN11 (0.55) PTPN11NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 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-20110098429-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 PTPN11 3000/4885LMNA 4232/4885HPGD 835/4885

“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.