SCHEMBL6448412

SCHEMBL6448412

CCC(OC(=O)C=CC(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.59
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 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
SCHEMBL11746166 1.00 HCAR2 (0.59) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL6448405 1.00 HCAR2 (0.59) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL11746172 0.92 HCAR2 (0.45) HCAR2TSHRMMP1MMP2MMP3
SCHEMBL9576299 0.87 HCAR2 (0.57) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL9773642 0.87 HCAR2 (0.57) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL9773737 0.85 HCAR2 (0.55) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL9576511 0.85 HCAR2 (0.59) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL9347791 0.83 HCAR2 (0.52) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL7773738 0.83 HCAR2 (0.57) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL7773744 0.83 HCAR2 (0.57) HCAR2ALDH1A1GAATSHRTP53

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
EP-1533322-B1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO LTD (JP) 2019-05-01 EP disclosed
US-9562119-B2 Ethylene polymerization catalysts W. R. GRACE & CO.-CONN. (US) 2017-02-07 US disclosed
EP-2576633-A2 ETHYLENE POLYMERIZATION CATALYSTS BASF Corporation (US) 2013-04-10 EP disclosed
WO-2011149656-A2 ETHYLENE POLYMERIZATION CATALYSTS BASF CORPORATION (US) 2011-12-01 WO disclosed
US-20110294970-A1 ETHYLENE POLYMERIZATION CATALYSTS BASF CATALYSTS, LLC (US) 2011-12-01 US disclosed
US-20050227856-A1 Solid catalyst component for olefin polymerization and catalyst TOHO CATALYST CO., LTD. (JP) 2005-10-13 US disclosed
EP-1533322-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST Toho Catalyst Co., Ltd. (JP) 2005-05-25 EP disclosed
US-4048130-A COPOLYMERIZATION, UNSATURATED ACIDS LONZA LTD. (CH) 1977-09-13 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-20110294970-A1 ETHYLENE POLYMERIZATION CATALYSTS ESR1, MSMO1, MCM5 HCAR2 3524/4885ALDH1A1 1575/4885GAA 2269/4885

“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.