SCHEMBL934442

SCHEMBL934442

CCOC(=O)C(CO)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 3/20 0.46
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.40
SHBG P04278 1/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL32683934 0.90 L3MBTL1 (0.43) ALDH1A1NPSR1TSHRCYP2D6L3MBTL1
SCHEMBL4087213 0.87 ALDH1A1 (0.48) ALDH1A1NPSR1TSHRCYP2D6L3MBTL1
Hydrochloric Acid SCHEMBL27351255 0.85 ALDH1A1 (0.47) ALDH1A1NPSR1TSHRCYP2D6L3MBTL1
SCHEMBL13573000 0.85 CYP2D6 (0.46) ALDH1A1NPSR1TSHRCYP2D6L3MBTL1
SCHEMBL31547066 0.85 CYP2D6 (0.46) ALDH1A1NPSR1TSHRCYP2D6L3MBTL1
SCHEMBL3917565 0.84 TSHR (0.48) ALDH1A1NPSR1TSHRCYP2D6L3MBTL1
SCHEMBL21807114 0.84 ALDH1A1 (0.46) ALDH1A1NPSR1TSHRCYP2D6L3MBTL1
SCHEMBL9588848 0.83 TP53 (0.44) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL1245676 0.82 CYP2D6 (0.60) ALDH1A1NPSR1TSHRCYP2D6L3MBTL1
SCHEMBL888438 0.82 ALDH1A1 (0.44) ALDH1A1NPSR1TSHRCYP2D6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9125414-B2 Pyridine derivatives compounds for controlling invertebrate pests BASF SE (DE) 2015-09-08 US disclosed
EP-2451804-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2014-04-30 EP disclosed
US-8710056-B2 Pyridazine compounds for controlling invertebrate pests BASF SE (DE) 2014-04-29 US disclosed
EP-2451808-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2014-03-26 EP disclosed
EP-2456308-A2 PYRIDINE DERIVATIVES FOR CONTROLLING INVERTREBATE PESTS BASF SE (DE) 2012-05-30 EP disclosed
US-20120122681-A1 Pyridine Derivatives Compounds for Controlling Invertebrate Pests BASF SE (DE) 2012-05-17 US disclosed
EP-2451804-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-05-16 EP disclosed
EP-2451808-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-05-16 EP disclosed
US-20120110705-A1 Pyridazine Compounds for Controlling Invertebrate Pests BASF SE (DE) 2012-05-03 US disclosed
WO-2011009804-A2 PYRIDINE DERIVATIVES COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-01-27 WO disclosed
WO-2011003796-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-01-13 WO disclosed
WO-2011003793-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-01-13 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-20120122681-A1 Pyridine Derivatives Compounds for Controlling Invertebrate Pests PRXL2A, GRIN2A, CNR2 ALDH1A1 1692/4885NPSR1 581/4885TSHR 2414/4885
US-20120110705-A1 Pyridazine Compounds for Controlling Invertebrate Pests CNR2, GRIN2C, GRIN2A ALDH1A1 2558/4885NPSR1 251/4885TSHR 996/4885

“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.