SCHEMBL4928170

SCHEMBL4928170

CCCCCCCCc1[c]c([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MGLL Q99685 1/20 0.35
CYP19A1 P11511 4/20 0.34
TSHR P16473 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
SCHEMBL11884435 0.94 HTT (0.39) KCNH2POLBHTTMAPTALDH1A1
SCHEMBL28310669 0.85 FUT7 (0.35) POLBHTTMAPTALDH1A1CYP19A1
SCHEMBL10748170 0.78 POLB (0.34) KCNH2POLBHTTCYSLTR2CYSLTR1
SCHEMBL7934032 0.78 GPR84 (0.46) KCNH2ALDH1A1
SCHEMBL3794039 0.77 KCNH2 (0.40) KCNH2ALDH1A1
SCHEMBL7831019 0.74 KCNH2 (0.43) KCNH2MAPTALDH1A1CYP19A1
SCHEMBL28113437 0.74 LOXL2 (0.46) POLBHTTALDH1A1CYP19A1TSHR
SCHEMBL19829355 0.74 KCNH2 (0.55) KCNH2POLBHTTCYP19A1
SCHEMBL1850414 0.72 POLB (0.34) POLBHTTMAPTALDH1A1CYP19A1
SCHEMBL3693411 0.72 HTT (0.39) POLBHTTMAPTALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4250924-A1 BIOACTIVE COMPLEXES Ceradis Patent B.V. (NL) 2023-10-04 EP disclosed
WO-2022114954-A1 BIOACTIVE COMPLEXES CERADIS PATENT B.V. (NL) 2022-06-02 WO disclosed
US-20080153701-A1 Fungicidal Mixtures BASF AKTIENGESELLSCHAFT (DE) 2008-06-26 US disclosed
US-20080039320-A1 Use Of Menadione BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
CN-1021281-C ORGANIC PHOSPHORUS PESTICIDE COMPOSITIONS STAUFFER CHEMICAL CO (US) 1993-06-23 CN disclosed
CN-87102422-A Pesticidal compositions and methods 1987-10-07 CN disclosed
US-4195096-A NONTOXIC, BIODEGRADABLE GAF CORPORATION (US) 1980-03-25 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 (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-20080039320-A1 Use Of Menadione MANBA, MGAM2, MGAM KCNH2 1249/4885POLB 1094/4885HTT 4804/4885
US-20080153701-A1 Fungicidal Mixtures STS, DDT, CYP4X1 KCNH2 1906/4885POLB 4181/4885HTT 4071/4885

“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.