SCHEMBL5134429

SCHEMBL5134429

CCC(c1ccccc1O)N(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
NISCH Q9Y2I1 1/20 0.42
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 2/20 0.35
BCHE P06276 1/20 0.35
TYR P14679 1/20 0.35
ACHE P22303 1/20 0.35
P4HB P07237 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 1/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL9068507 0.85 TSHR (0.50) TSHRGABRA1GABRB2NISCHPOLB
SCHEMBL17571740 0.76 KAT2B (0.44) TSHRNISCHHPGDGAALMNA
SCHEMBL17571739 0.76 NISCH (0.70) NISCHNFKB1BLMHIF1AAOC3
SCHEMBL11285544 0.74 POLB (0.44) TSHRNISCHPOLBHPGDGAA
SCHEMBL296591 0.74 TSHR (0.68) TSHRGABRA1GABRB2POLBHPGD
SCHEMBL20721726 0.74 TSHR (1.00) TSHRGABRA1GABRB2POLBHPGD
SCHEMBL29860994 0.74 TSHR (0.68) TSHRGABRA1GABRB2POLBHPGD
SCHEMBL301684 0.74 GABRA1 (0.56) TSHRGABRA1GABRB2NISCHPOLB
SCHEMBL282162 0.74 TSHR (1.00) TSHRGABRA1GABRB2POLBHPGD
SCHEMBL282881 0.74 TSHR (0.68) TSHRGABRA1GABRB2POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250047-A A kind of 2,6- di-t-butyls are to the preparation method of alkyl phenol 江苏迈达新材料股份有限公司 2018-07-06 CN disclosed
US-20120295973-A1 METHODS AND COMPOSITIONS OF DERIVATIVES OF PROBUCOL FOR THE TREATMENT OF DIABETES SALUTRIA PHARMACEUTICALS LLC 2012-11-22 US disclosed
US-8252840-B2 administering monoesters of probucol, such as AGI-1067, succinobucol SALUTRIA PHARMACEUTICALS LLC (US) 2012-08-28 US disclosed
CN-100445340-C Curable coating composition TORAY FINE CHEMICAL CO LTD (JP) 2008-12-24 CN disclosed
US-20080280979-A1 Methods and Compositions of Derivatives of Probucol for the Treatment of Diabetes CRABTREE ACQUISITION CO, LLC 2008-11-13 US disclosed
CN-1509321-A Curable coating composition ������ѧ��ʽ���� 2004-06-30 CN disclosed
WO-2002067916-A3 PHARMACEUTICAL SALTS GRUENENTHAL GMBH (DE) 2003-12-18 WO disclosed
WO-2002067916-A2 PHARMACEUTICAL SALTS Grünenthal GmbH (DE) 2002-09-06 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 (2 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-20080280979-A1 Methods and Compositions of Derivatives of Probucol for the Treatment of Diabetes PNLIP, SLC5A2, LIPC TSHR 3212/4885GABRA1 424/4885GABRB2 406/4885
US-20120295973-A1 METHODS AND COMPOSITIONS OF DERIVATIVES OF PROBUCOL FOR THE TREATMENT OF DIABETES PNLIP, SLC5A2, LIPC TSHR 3212/4885GABRA1 424/4885GABRB2 406/4885

“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.