SCHEMBL4720982

SCHEMBL4720982

C[C](C1CCCO1)C1CCCO1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.52
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.38
HPGD P15428 6/20 0.37
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2253501 0.92 NOS2 (0.44) NOS2MEN1KMT2ARECQLHPGD
SCHEMBL482622 0.83
SCHEMBL890174 0.79
SCHEMBL2321562 0.79
SCHEMBL22332736 0.79
SCHEMBL13064286 0.79
SCHEMBL5771317 0.79
SCHEMBL12060991 0.79
SCHEMBL5574453 0.77
Bromide SCHEMBL6143076 0.77

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238697-B2 Pyridylpyrimidines for use as pesticides BAYER CROPSCIENCE AG (DE) 2007-07-03 US claimed
US-20040077641-A1 Pyridyl pyrimidines for use as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-22 US claimed
EP-1367893-A1 PYRIDYL PYRIMIDINES FOR USE AS PESTICIDES Bayer CropScience AG (DE) 2003-12-10 EP claimed
WO-2002067684-A1 PYRIDYL PYRIMIDINES FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-09-06 WO claimed
WO-2002006244-A1 HETEROCYCLIC SUBSTITUTED HERBICIDAL SULPHONIC ACID ANILIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-01-24 WO claimed
WO-2002006277-A1 SUBSTITUTED BENZO-NITRO-HETEROCYCLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-01-24 WO claimed
EP-0355544-B1 Substituted decalin amines, method for their preparation and their use in pesticides BAYER AG (DE) 1994-01-26 EP claimed
EP-0355597-B1 SUBSTITUTED DIOXOLANYLETHYLAMINES, PROCESS FOR THEIR PREPARATION, THEIR USE IN PESTICIDES, AND INTERMEDIATES BAYER AG (DE) 1993-06-09 EP claimed
EP-0289913-B1 PARASITICIDAL AGENT BASED ON SUBSTITUTED AMINOMETHYL HETEROCYCLES BAYER AG (DE) 1993-01-13 EP claimed
EP-0359979-B1 AMINOMETHYLHETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE IN PESTICIDES, AND INTERMEDIATES BAYER AG (DE) 1992-12-30 EP claimed
US-4985421-A Fungicidal substituted dioxolanylethylamine BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US claimed
EP-0278311-B1 2-AMINOMETHYL TETRAHYDROFURANES BAYER AG (DE) 1990-07-18 EP claimed
EP-0359979-A1 Aminomethylheterocyclic compounds, process for their preparation, their use in pesticides, and intermediates BAYER AG (DE) 1990-03-28 EP claimed
EP-0355544-A2 Substituted decalin amines, method for their preparation and their use in pesticides BAYER AG (DE) 1990-02-28 EP claimed
US-4851405-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 US claimed
US-4800202-A FUNGICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-01-24 US claimed
EP-0289913-A2 Parasiticidal agent based on substituted aminomethyl heterocycles BAYER AG (DE) 1988-11-09 EP claimed
EP-0281842-A1 Aminomethyl-heterocycles BAYER AG (DE) 1988-09-14 EP claimed
EP-0278311-A1 2-Aminomethyl tetrahydrofuranes BAYER AG (DE) 1988-08-17 EP claimed
EP-0278352-A2 Aminomethyl-tetrahydro-furanes BAYER AG (DE) 1988-08-17 EP claimed

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-20040077641-A1 Pyridyl pyrimidines for use as pesticides PNPO, P2RX6, P2RX1 NOS2 4269/4885MEN1 3315/4885KMT2A 3530/4885

“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.