SCHEMBL2230975

SCHEMBL2230975

CCCCCOC(=O)CCC(CC)CCCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CYP3A4 P08684 1/20 0.60
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CA2 P00918 2/20 0.56
NAAA Q02083 1/20 0.52
DGKA P23743 1/20 0.52
HTR2C P28335 1/20 0.50
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
FAAH O00519 1/20 0.44
DNM1 Q05193 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 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
SCHEMBL28984798 0.98 TSHR (0.58) TSHRCYP3A4ATMTDP1CA2
SCHEMBL15028301 0.95 TSHR (0.58) TSHRCYP3A4ATMTDP1CA2
SCHEMBL25948793 0.93 NAAA (0.55) TSHRCYP3A4ATMTDP1CA2
SCHEMBL495321 0.92 DGKA (0.61) TSHRCYP3A4ATMTDP1CA2
SCHEMBL494373 0.92 DGKA (0.61) TSHRCYP3A4ATMTDP1CA2
SCHEMBL494159 0.92 DGKA (0.61) TSHRCYP3A4ATMTDP1CA2
SCHEMBL495650 0.92 DGKA (0.61) TSHRCYP3A4ATMTDP1CA2
SCHEMBL495716 0.92 DGKA (0.61) TSHRCYP3A4ATMTDP1CA2
SCHEMBL496150 0.92 DGKA (0.61) TSHRCYP3A4ATMTDP1CA2
SCHEMBL494538 0.92 DGKA (0.61) TSHRCYP3A4ATMTDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131530-A1 A CLEANING COMPOSITION FOR METAL SUBSTRATES PRETREATMENT AND ITS PREPARATION METHOD AND APPLICATION THEREOF BASF COATINGS GMBH (DE) 2023-07-13 WO disclosed
US-8741809-B2 Liquid pyraclostrobin-containing crop protection formulations BASF SE (DE) 2014-06-03 US disclosed
US-8716182-B2 Liquid aqueous crop protection formulations BASF SE (DE) 2014-05-06 US disclosed
US-20110195846-A1 Liquid Pyraclostrobin-Containing Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 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 (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-20110195839-A1 Liquid Aqueous Crop Protection Formulations AQP1, GANC, BROX TSHR 4639/4885CYP3A4 3853/4885ATM 2743/4885

“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.